data_1cq4_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 1cq4 _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 ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 tttt . . . . . 0 N--CA 1.499 1.984 0 CA-C-O 123.196 1.474 . . . . 42.76 107.732 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -120.88 -8.05 9.45 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 115.409 -2.234 . . . . 37.31 110.908 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -143.52 150.79 39.44 Favored 'General case' 0 N--CA 1.516 2.829 0 O-C-N 128.012 3.32 . . . . 51.62 110.08 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -130.62 69.97 82.36 Favored Pre-proline 0 N--CA 1.427 -1.582 0 O-C-N 117.056 -3.527 . . . . 29.68 112.78 -174.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.69 -20.83 46.12 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 O-C-N 123.868 1.457 . . . . 30.84 111.09 -176.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -67.58 -13.31 61.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 116.606 -3.809 . . . . 37.89 112.718 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.43 -5.94 48.17 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 118.951 -2.343 . . . . 30.52 113.009 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.33 130.06 18.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 O-C-N 126.78 2.55 . . . . 27.72 108.991 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.79 -20.09 44.29 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 118.232 2.053 . . . . 30.54 118.232 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.78 166.73 22.58 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.319 -1.694 . . . . 42.31 110.55 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.3 p -76.36 166.14 23.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.676 0.75 . . . . 27.66 109.795 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -58.82 -43.24 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 113.417 -1.719 . . . . 32.67 110.655 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.35 -44.35 95.63 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 118.07 -0.967 . . . . 41.72 112.667 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.62 -39.32 73.82 Favored 'General case' 0 CA--C 1.44 -3.288 0 O-C-N 123.938 0.773 . . . . 50.01 111.831 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.55 80.81 Favored 'General case' 0 C--N 1.282 -2.332 1 O-C-N 115.486 -4.509 . . . . 28.39 109.617 173.532 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 84' ' ' HOH . 2.6 tttp -62.86 -47.07 84.95 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 119.633 -0.827 . . . . 44.62 110.567 -176.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -58.39 -43.52 88.57 Favored 'General case' 0 C--O 1.25 1.129 0 CA-C-O 122.352 1.072 . . . . 48.81 111.669 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.1 t -67.22 -50.13 66.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 O-C-N 118.448 -2.657 . . . . 31.05 109.261 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.19 -45.2 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 118.964 -1.095 . . . . 28.16 112.029 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.4 -28.0 66.71 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 116.623 -2.031 . . . . 31.25 109.672 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.1 -42.75 84.04 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 118.635 -2.541 . . . . 50.27 107.775 175.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.35 -28.08 38.13 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 124.574 2.131 . . . . 33.53 112.852 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -145.02 85.15 8.34 Favored Pre-proline 0 C--O 1.216 -0.704 0 O-C-N 119.558 -1.964 . . . . 30.38 110.283 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -56.25 -30.86 82.05 Favored 'Trans proline' 0 CA--C 1.485 -1.956 0 C-N-CA 124.209 3.273 . . . . 30.25 115.773 -173.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -87.3 0.18 55.81 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 117.268 -1.349 . . . . 27.69 112.512 -177.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 138.44 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 116.982 -1.887 . . . . 24.82 112.721 -172.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -107.44 106.3 16.64 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 102.972 -2.973 . . . . 39.63 102.972 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.1 mt -91.95 122.39 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 127.879 3.237 . . . . 33.01 108.86 -167.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mm -114.39 137.37 47.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 103.751 -2.685 . . . . 26.85 103.751 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -119.67 117.72 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 126.569 2.418 . . . . 24.09 108.238 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -129.04 153.17 80.27 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 126.168 2.167 . . . . 31.3 110.093 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.11 150.15 87.73 Favored 'Trans proline' 0 N--CA 1.438 -1.784 0 C-N-CA 121.344 1.363 . . . . 28.91 109.673 170.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.11 140.7 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 116.784 -3.697 . . . . 30.99 110.379 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.86 -1.72 75.13 Favored Glycine 0 C--O 1.223 -0.592 0 C-N-CA 119.498 -1.334 . . . . 36.15 111.623 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -72.36 127.91 34.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.543 1.171 . . . . 38.2 110.496 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.5 129.82 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.238 1.381 . . . . 46.8 111.006 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 116.32 -1.8 . . . . 54.25 109.635 179.365 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 44.34 109.679 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . 0.439 ' NE ' ' O ' ' A' ' 98' ' ' HOH . 42.7 mtp85 -114.26 109.59 18.62 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 126.221 1.808 . . . . 43.25 109.901 -178.273 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.3 tt -64.28 -19.19 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 115.516 1.673 . . . . 41.62 115.516 -173.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.96 -11.66 28.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 116.322 -1.799 . . . . 43.48 113.133 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -87.37 144.23 26.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 126.582 2.426 . . . . 30.55 109.166 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -136.54 114.48 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 105.971 -1.862 . . . . 25.68 105.971 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -84.92 138.82 32.27 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 126.786 2.554 . . . . 47.18 109.536 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.02 116.66 28.3 Favored 'General case' 0 CA--C 1.556 1.181 0 O-C-N 127.165 2.79 . . . . 26.24 104.964 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -96.21 115.61 27.7 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 128.174 3.421 . . . . 28.95 106.067 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -112.7 153.19 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 128.354 3.534 . . . . 25.21 113.081 -169.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -88.82 -162.3 0.84 Allowed 'General case' 0 C--O 1.259 1.563 0 O-C-N 127.193 2.808 . . . . 26.95 110.403 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.27 -20.01 62.27 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 117.102 -3.499 . . . . 40.97 112.862 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 70.3 mt -100.65 9.15 42.85 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 128.089 2.555 . . . . 35.14 114.024 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 64.79 32.22 11.15 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 115.511 1.671 . . . . 42.31 115.511 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -99.71 150.4 22.34 Favored 'General case' 0 N--CA 1.409 -2.482 0 N-CA-C 108.794 -0.817 . . . . 27.68 108.794 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 22.1 mm -67.97 125.45 25.65 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.866 -0.79 . . . . 27.69 108.866 -176.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.36 -20.0 14.24 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.458 1.724 . . . . 27.62 113.428 -173.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -135.95 155.68 49.9 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 108.397 -0.964 . . . . 46.74 108.397 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.89 120.7 59.54 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 118.815 -1.154 . . . . 28.72 110.609 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -63.66 135.4 48.73 Favored 'Trans proline' 0 C--O 1.266 1.897 0 C-N-CA 122.679 2.253 . . . . 26.56 112.515 174.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -139.63 149.3 43.6 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 124.826 1.328 . . . . 49.13 108.622 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 37.9 t -65.72 150.0 11.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.029 1.456 . . . . 32.51 108.79 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.593 0 CA-C-N 120.479 1.491 . . . . 34.1 113.684 178.284 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1001 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . 0.459 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . 0.439 ' O ' ' NE ' ' B' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 tttt . . . . . 0 N--CA 1.499 1.984 0 CA-C-O 123.196 1.474 . . . . 42.76 107.732 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -120.88 -8.05 9.45 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 115.409 -2.234 . . . . 37.31 110.908 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -143.52 150.79 39.44 Favored 'General case' 0 N--CA 1.516 2.829 0 O-C-N 128.012 3.32 . . . . 51.62 110.08 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -130.62 69.97 82.36 Favored Pre-proline 0 N--CA 1.427 -1.582 0 O-C-N 117.056 -3.527 . . . . 29.68 112.78 -174.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.69 -20.83 46.12 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 O-C-N 123.868 1.457 . . . . 30.84 111.09 -176.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -67.58 -13.31 61.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 116.606 -3.809 . . . . 37.89 112.718 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.43 -5.94 48.17 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 118.951 -2.343 . . . . 30.52 113.009 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.33 130.06 18.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 O-C-N 126.78 2.55 . . . . 27.72 108.991 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.79 -20.09 44.29 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 118.232 2.053 . . . . 30.54 118.232 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.78 166.73 22.58 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.319 -1.694 . . . . 42.31 110.55 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.3 p -76.36 166.14 23.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.676 0.75 . . . . 27.66 109.795 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -58.82 -43.24 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 113.417 -1.719 . . . . 32.67 110.655 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.35 -44.35 95.63 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 118.07 -0.967 . . . . 41.72 112.667 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.62 -39.32 73.82 Favored 'General case' 0 CA--C 1.44 -3.288 0 O-C-N 123.938 0.773 . . . . 50.01 111.831 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.55 80.81 Favored 'General case' 0 C--N 1.282 -2.332 1 O-C-N 115.486 -4.509 . . . . 28.39 109.617 173.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -62.86 -47.07 84.95 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 119.633 -0.827 . . . . 44.62 110.567 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -58.39 -43.52 88.57 Favored 'General case' 0 C--O 1.25 1.129 0 CA-C-O 122.352 1.072 . . . . 48.81 111.669 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.1 t -67.22 -50.13 66.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 O-C-N 118.448 -2.657 . . . . 31.05 109.261 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.19 -45.2 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 118.964 -1.095 . . . . 28.16 112.029 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.4 -28.0 66.71 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 116.623 -2.031 . . . . 31.25 109.672 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.1 -42.75 84.04 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 118.635 -2.541 . . . . 50.27 107.775 175.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.35 -28.08 38.13 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 124.574 2.131 . . . . 33.53 112.852 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -145.02 85.15 8.34 Favored Pre-proline 0 C--O 1.216 -0.704 0 O-C-N 119.558 -1.964 . . . . 30.38 110.283 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -56.25 -30.86 82.05 Favored 'Trans proline' 0 CA--C 1.485 -1.956 0 C-N-CA 124.209 3.273 . . . . 30.25 115.773 -173.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -87.3 0.18 55.81 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 117.268 -1.349 . . . . 27.69 112.512 -177.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 138.44 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 116.982 -1.887 . . . . 24.82 112.721 -172.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -107.44 106.3 16.64 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 102.972 -2.973 . . . . 39.63 102.972 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.1 mt -91.95 122.39 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 127.879 3.237 . . . . 33.01 108.86 -167.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mm -114.39 137.37 47.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 103.751 -2.685 . . . . 26.85 103.751 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -119.67 117.72 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 126.569 2.418 . . . . 24.09 108.238 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -129.04 153.17 80.27 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 126.168 2.167 . . . . 31.3 110.093 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.11 150.15 87.73 Favored 'Trans proline' 0 N--CA 1.438 -1.784 0 C-N-CA 121.344 1.363 . . . . 28.91 109.673 170.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.11 140.7 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 116.784 -3.697 . . . . 30.99 110.379 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.86 -1.72 75.13 Favored Glycine 0 C--O 1.223 -0.592 0 C-N-CA 119.498 -1.334 . . . . 36.15 111.623 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -72.36 127.91 34.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.543 1.171 . . . . 38.2 110.496 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.5 129.82 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.238 1.381 . . . . 46.8 111.006 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 116.32 -1.8 . . . . 54.25 109.635 179.365 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 44.34 109.679 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 -114.26 109.59 18.62 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 126.221 1.808 . . . . 43.25 109.901 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.3 tt -64.28 -19.19 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 115.516 1.673 . . . . 41.62 115.516 -173.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.96 -11.66 28.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 116.322 -1.799 . . . . 43.48 113.133 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -87.37 144.23 26.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 126.582 2.426 . . . . 30.55 109.166 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -136.54 114.48 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 105.971 -1.862 . . . . 25.68 105.971 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -84.92 138.82 32.27 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 126.786 2.554 . . . . 47.18 109.536 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.02 116.66 28.3 Favored 'General case' 0 CA--C 1.556 1.181 0 O-C-N 127.165 2.79 . . . . 26.24 104.964 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -96.21 115.61 27.7 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 128.174 3.421 . . . . 28.95 106.067 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -112.7 153.19 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 128.354 3.534 . . . . 25.21 113.081 -169.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -88.82 -162.3 0.84 Allowed 'General case' 0 C--O 1.259 1.563 0 O-C-N 127.193 2.808 . . . . 26.95 110.403 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.27 -20.01 62.27 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 117.102 -3.499 . . . . 40.97 112.862 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 70.3 mt -100.65 9.15 42.85 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 128.089 2.555 . . . . 35.14 114.024 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 64.79 32.22 11.15 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 115.511 1.671 . . . . 42.31 115.511 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -99.71 150.4 22.34 Favored 'General case' 0 N--CA 1.409 -2.482 0 N-CA-C 108.794 -0.817 . . . . 27.68 108.794 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 22.1 mm -67.97 125.45 25.65 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.866 -0.79 . . . . 27.69 108.866 -176.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.36 -20.0 14.24 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.458 1.724 . . . . 27.62 113.428 -173.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -135.95 155.68 49.9 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 108.397 -0.964 . . . . 46.74 108.397 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.89 120.7 59.54 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 118.815 -1.154 . . . . 28.72 110.609 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -63.66 135.4 48.73 Favored 'Trans proline' 0 C--O 1.266 1.897 0 C-N-CA 122.679 2.253 . . . . 26.56 112.515 174.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -139.63 149.3 43.6 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 124.826 1.328 . . . . 49.13 108.622 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 37.9 t -65.72 150.0 11.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.029 1.456 . . . . 32.51 108.79 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.593 0 CA-C-N 120.479 1.491 . . . . 34.1 113.684 178.284 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1001 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 tttt . . . . . 0 N--CA 1.499 1.984 0 CA-C-O 123.196 1.474 . . . . 42.76 107.732 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -120.88 -8.05 9.45 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 115.409 -2.234 . . . . 37.31 110.908 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -143.52 150.79 39.44 Favored 'General case' 0 N--CA 1.516 2.829 0 O-C-N 128.012 3.32 . . . . 51.62 110.08 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -130.62 69.97 82.36 Favored Pre-proline 0 N--CA 1.427 -1.582 0 O-C-N 117.056 -3.527 . . . . 29.68 112.78 -174.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -67.69 -20.83 46.12 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 O-C-N 123.868 1.457 . . . . 30.84 111.09 -176.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -67.58 -13.31 61.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 116.606 -3.809 . . . . 37.89 112.718 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.43 -5.94 48.17 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 118.951 -2.343 . . . . 30.52 113.009 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.33 130.06 18.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 O-C-N 126.78 2.55 . . . . 27.72 108.991 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.79 -20.09 44.29 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 118.232 2.053 . . . . 30.54 118.232 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -77.78 166.73 22.58 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.319 -1.694 . . . . 42.31 110.55 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.3 p -76.36 166.14 23.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.676 0.75 . . . . 27.66 109.795 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 t -58.82 -43.24 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 113.417 -1.719 . . . . 32.67 110.655 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.35 -44.35 95.63 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-O 118.07 -0.967 . . . . 41.72 112.667 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.62 -39.32 73.82 Favored 'General case' 0 CA--C 1.44 -3.288 0 O-C-N 123.938 0.773 . . . . 50.01 111.831 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.55 80.81 Favored 'General case' 0 C--N 1.282 -2.332 1 O-C-N 115.486 -4.509 . . . . 28.39 109.617 173.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -62.86 -47.07 84.95 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 119.633 -0.827 . . . . 44.62 110.567 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -58.39 -43.52 88.57 Favored 'General case' 0 C--O 1.25 1.129 0 CA-C-O 122.352 1.072 . . . . 48.81 111.669 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.1 t -67.22 -50.13 66.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 O-C-N 118.448 -2.657 . . . . 31.05 109.261 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.19 -45.2 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 118.964 -1.095 . . . . 28.16 112.029 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.4 -28.0 66.71 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 116.623 -2.031 . . . . 31.25 109.672 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.1 -42.75 84.04 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 118.635 -2.541 . . . . 50.27 107.775 175.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.35 -28.08 38.13 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 124.574 2.131 . . . . 33.53 112.852 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -145.02 85.15 8.34 Favored Pre-proline 0 C--O 1.216 -0.704 0 O-C-N 119.558 -1.964 . . . . 30.38 110.283 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -56.25 -30.86 82.05 Favored 'Trans proline' 0 CA--C 1.485 -1.956 0 C-N-CA 124.209 3.273 . . . . 30.25 115.773 -173.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 pm0 -87.3 0.18 55.81 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 117.268 -1.349 . . . . 27.69 112.512 -177.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.29 138.44 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 116.982 -1.887 . . . . 24.82 112.721 -172.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -107.44 106.3 16.64 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 102.972 -2.973 . . . . 39.63 102.972 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.1 mt -91.95 122.39 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 127.879 3.237 . . . . 33.01 108.86 -167.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mm -114.39 137.37 47.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 103.751 -2.685 . . . . 26.85 103.751 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -119.67 117.72 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 126.569 2.418 . . . . 24.09 108.238 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -129.04 153.17 80.27 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 126.168 2.167 . . . . 31.3 110.093 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.11 150.15 87.73 Favored 'Trans proline' 0 N--CA 1.438 -1.784 0 C-N-CA 121.344 1.363 . . . . 28.91 109.673 170.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.488 HG13 ' NE2' ' B' ' 78' ' ' GLN . 91.8 t -59.11 140.7 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 116.784 -3.697 . . . . 30.99 110.379 169.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.86 -1.72 75.13 Favored Glycine 0 C--O 1.223 -0.592 0 C-N-CA 119.498 -1.334 . . . . 36.15 111.623 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -72.36 127.91 34.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.543 1.171 . . . . 38.2 110.496 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.5 129.82 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.238 1.381 . . . . 46.8 111.006 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 116.32 -1.8 . . . . 54.25 109.635 179.365 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 44.34 109.679 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 -114.26 109.59 18.62 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 126.221 1.808 . . . . 43.25 109.901 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 4.3 tt -64.28 -19.19 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 115.516 1.673 . . . . 41.62 115.516 -173.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.96 -11.66 28.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 116.322 -1.799 . . . . 43.48 113.133 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -87.37 144.23 26.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 126.582 2.426 . . . . 30.55 109.166 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -136.54 114.48 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 N-CA-C 105.971 -1.862 . . . . 25.68 105.971 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -84.92 138.82 32.27 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 126.786 2.554 . . . . 47.18 109.536 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.02 116.66 28.3 Favored 'General case' 0 CA--C 1.556 1.181 0 O-C-N 127.165 2.79 . . . . 26.24 104.964 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -96.21 115.61 27.7 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 128.174 3.421 . . . . 28.95 106.067 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -112.7 153.19 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 128.354 3.534 . . . . 25.21 113.081 -169.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -88.82 -162.3 0.84 Allowed 'General case' 0 C--O 1.259 1.563 0 O-C-N 127.193 2.808 . . . . 26.95 110.403 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.27 -20.01 62.27 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 117.102 -3.499 . . . . 40.97 112.862 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 70.3 mt -100.65 9.15 42.85 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 128.089 2.555 . . . . 35.14 114.024 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 64.79 32.22 11.15 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 115.511 1.671 . . . . 42.31 115.511 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -99.71 150.4 22.34 Favored 'General case' 0 N--CA 1.409 -2.482 0 N-CA-C 108.794 -0.817 . . . . 27.68 108.794 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 22.1 mm -67.97 125.45 25.65 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.866 -0.79 . . . . 27.69 108.866 -176.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.36 -20.0 14.24 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.458 1.724 . . . . 27.62 113.428 -173.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.488 ' NE2' HG13 ' A' ' 53' ' ' VAL . 22.6 mt-30 -135.95 155.68 49.9 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 108.397 -0.964 . . . . 46.74 108.397 -177.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.89 120.7 59.54 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 118.815 -1.154 . . . . 28.72 110.609 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -63.66 135.4 48.73 Favored 'Trans proline' 0 C--O 1.266 1.897 0 C-N-CA 122.679 2.253 . . . . 26.56 112.515 174.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -139.63 149.3 43.6 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 124.826 1.328 . . . . 49.13 108.622 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 37.9 t -65.72 150.0 11.09 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.029 1.456 . . . . 32.51 108.79 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.593 0 CA-C-N 120.479 1.491 . . . . 34.1 113.684 178.284 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1001 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_