data_6u2u_residue ############################ # Computer software used # ############################ 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 6u2u _Structure_validation_residue.Date_analyzed 2019-10-11 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 ' 59' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 111.964 0.357 . . . . 43.86 111.964 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.54 141.12 36.95 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.149 0.58 . . . . 33.91 110.394 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -76.83 176.77 8.21 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.417 -0.913 . . . . 27.52 108.819 164.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.56 -44.18 89.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.911 -0.493 . . . . 36.48 111.22 -175.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.57 -38.04 89.63 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 118.997 -1.081 . . . . 29.61 111.113 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.46 -35.18 91.36 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 119.786 -1.197 . . . . 20.93 112.561 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.11 -46.64 86.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 122.264 -0.551 . . . . 21.31 111.041 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -62.88 -40.86 98.81 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.71 -0.796 . . . . 27.84 111.721 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -58.25 -43.81 88.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.137 -0.625 . . . . 22.76 111.359 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -65.52 -38.58 90.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 122.35 -0.219 . . . . 35.2 110.785 -178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.86 -33.14 70.33 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 121.91 -0.494 . . . . 23.95 111.576 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 208' ' ' HOH . 84.5 mttt -63.35 -31.55 72.74 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 119.47 -0.892 . . . . 38.88 111.432 173.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.31 -33.65 49.16 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.836 -0.746 . . . . 57.08 111.744 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.41 -30.44 25.36 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.34 0.867 . . . . 28.34 113.34 -172.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.5 t -94.24 114.74 64.04 Favored Pre-proline 0 C--O 1.239 0.524 0 N-CA-C 108.178 -1.045 . . . . 26.95 108.178 -167.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -84.74 -4.73 9.9 Favored 'Trans proline' 0 C--O 1.242 0.675 0 N-CA-C 114.878 1.068 . . . . 30.82 114.878 -170.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -93.2 -4.29 52.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 118.906 0.775 . . . . 33.27 112.597 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 mt -65.82 144.41 98.84 Favored Pre-proline 0 N--CA 1.447 -0.607 0 C-N-CA 120.056 -0.657 . . . . 33.01 109.503 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -59.65 144.24 99.48 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 N-CA-C 110.189 -0.735 . . . . 43.39 110.189 174.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -109.92 1.68 19.29 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.359 0.874 . . . . 75.61 113.359 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -131.78 23.44 4.64 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.614 0.643 . . . . 69.95 112.393 -171.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -164.44 167.02 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.144 -1.022 . . . . 66.35 109.746 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 202' ' ' HOH . 68.3 tttt -70.53 141.48 51.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.488 -1.233 . . . . 64.81 109.367 176.737 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.1 m -126.24 139.11 52.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.52 -0.919 . . . . 39.91 108.52 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 91.5 p -83.19 167.77 17.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.579 0.704 . . . . 37.13 110.249 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -64.0 -42.56 97.13 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.457 -0.897 . . . . 52.06 111.172 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.55 -36.48 77.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.322 -0.951 . . . . 38.61 110.423 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -41.99 95.02 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.706 -0.797 . . . . 71.21 110.741 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 85.6 mt -57.43 -48.32 83.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 119.913 -0.715 . . . . 22.75 110.422 175.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.18 -35.64 80.99 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.142 -1.023 . . . . 19.87 111.428 -175.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.07 -41.02 95.47 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.509 -0.876 . . . . 38.91 111.346 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -62.91 -42.15 99.69 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.507 -0.477 . . . . 26.98 111.642 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.0 t -57.06 -47.41 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 20.9 110.675 176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.0 mt -56.14 -48.94 78.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 CA-C-O 121.087 0.47 . . . . 22.27 110.474 -179.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -32.49 70.35 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.768 -0.773 . . . . 38.58 111.039 -174.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -67.96 -47.69 67.92 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.842 0.312 . . . . 27.69 111.842 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.19 -42.88 58.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 121.957 -0.464 . . . . 22.85 110.068 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -64.11 -41.82 97.1 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 118.904 -1.118 . . . . 53.39 111.67 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.05 -38.05 89.58 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 119.734 -0.786 . . . . 34.47 111.174 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.82 -41.71 87.06 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.958 -0.464 . . . . 25.76 110.91 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.36 -39.37 93.75 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.21 -0.596 . . . . 29.52 111.091 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.25 -34.66 77.9 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.716 -0.793 . . . . 57.18 111.332 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -69.62 -35.06 74.93 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.512 -0.475 . . . . 48.95 110.617 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.18 -26.63 68.89 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.584 0.216 . . . . 60.64 111.584 175.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -79.83 -13.05 59.69 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.747 0.647 . . . . 70.81 112.747 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 109.374 -0.602 . . . . 55.66 109.374 171.85 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' B' ' 203' ' ' HOH . 5.6 tp . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.287 0.565 . . . . 61.8 110.476 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.34 142.65 49.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.495 -0.775 . . . . 26.83 110.452 -161.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -75.93 178.32 6.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.84 -0.8 . . . . 29.81 108.84 166.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 32.1 tpp -59.08 -46.33 88.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.455 -0.898 . . . . 65.68 111.375 -176.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -62.57 -37.42 86.1 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 118.648 -1.221 . . . . 43.24 111.405 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.97 93.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 119.854 -1.165 . . . . 22.41 112.712 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 63.7 m -60.28 -46.43 89.85 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.441 -0.446 . . . . 22.0 111.226 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -64.1 -40.97 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.978 -1.089 . . . . 23.46 111.975 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.9 m -59.13 -42.73 91.33 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.514 -0.474 . . . . 26.52 110.767 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -64.55 -41.14 96.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.68 0.276 . . . . 29.62 111.174 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.08 -38.28 87.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.652 0.263 . . . . 24.49 111.014 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.14 -36.05 78.7 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.195 0.443 . . . . 48.5 112.195 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.8 -24.5 58.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.396 0.517 . . . . 57.95 112.396 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.94 -35.25 16.57 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.468 0.914 . . . . 29.82 113.468 -172.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.81 109.34 50.68 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 108.227 -1.027 . . . . 27.86 108.227 -164.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.31 -10.59 22.49 Favored 'Trans proline' 0 C--O 1.241 0.635 0 CA-C-N 119.468 0.846 . . . . 31.41 113.957 -171.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -86.61 -6.19 58.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.591 0.959 . . . . 39.19 113.591 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 mt -74.98 153.19 86.69 Favored Pre-proline 0 C--O 1.236 0.357 0 CA-C-N 118.546 0.612 . . . . 33.13 110.873 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.52 139.42 89.18 Favored 'Trans proline' 0 CA--C 1.516 -0.411 0 C-N-CA 120.239 0.626 . . . . 46.82 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLN . . . . . 0.684 ' NE2' ' O ' ' B' ' 205' ' ' HOH . 1.4 tt0 -76.15 -39.56 54.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.961 -1.018 . . . . 90.67 111.09 179.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -112.87 -28.38 7.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.639 0.977 . . . . 70.46 113.639 -172.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ARG . . . . . 0.616 ' NH2' ' OE2' ' B' ' 86' ' ' GLU . 66.5 ttp85 -81.9 142.13 32.76 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.419 0.554 . . . . 69.46 111.616 -171.67 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -66.04 140.13 58.25 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.821 -0.627 . . . . 97.28 110.549 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -121.69 125.79 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.993 -1.003 . . . . 52.37 108.672 -172.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 83.1 p -74.61 163.3 27.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 118.436 -1.306 . . . . 33.11 109.357 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -54.57 -43.74 72.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.003 -0.999 . . . . 56.44 110.972 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.81 -36.04 74.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 119.491 -0.883 . . . . 30.77 110.507 -175.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLU . . . . . 0.879 ' OE1' ' O ' ' B' ' 201' ' ' HOH . 57.5 tt0 -67.89 -40.25 83.54 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.138 -0.625 . . . . 45.69 110.899 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.59 -50.78 64.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.41 0.624 . . . . 29.08 110.437 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.05 -31.77 72.52 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.226 -0.99 . . . . 22.8 112.203 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLN . . . . . 0.727 ' OE1' ' O ' ' B' ' 202' ' ' HOH . 69.0 tp60 -64.18 -43.38 95.29 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.515 -0.874 . . . . 54.44 111.187 173.655 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -63.39 -39.79 95.48 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.591 -0.443 . . . . 30.91 111.61 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 42.2 t -59.57 -46.43 93.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.864 -0.335 . . . . 22.48 110.519 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.7 mt -59.73 -47.8 89.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.028 0.442 . . . . 22.67 110.83 -178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.79 -33.26 75.22 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 120.06 -0.656 . . . . 46.69 111.831 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.19 -42.58 72.19 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.619 -0.432 . . . . 27.29 111.684 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.68 -43.7 98.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.31 0.576 . . . . 27.09 109.825 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -64.3 -32.91 74.69 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 118.976 -1.09 . . . . 69.42 111.34 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.17 -47.09 65.91 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.693 0.282 . . . . 59.88 111.164 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.7 -40.38 94.83 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.502 -0.479 . . . . 39.75 111.564 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.3 -40.44 96.28 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.081 -0.648 . . . . 39.7 111.182 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.37 -42.87 71.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.142 -0.623 . . . . 58.63 111.646 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.17 -39.69 94.54 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.129 -0.628 . . . . 84.15 111.297 -179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.327 -0.393 0 O-C-N 122.058 -0.401 . . . . 72.79 110.735 178.338 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' 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 . . . . . 0.408 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' 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 ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.879 ' O ' ' OE1' ' B' ' 86' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.727 ' O ' ' OE1' ' B' ' 89' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . 0.776 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . 0.684 ' O ' ' NE2' ' B' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . 0.519 ' O ' ' NE2' ' B' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' 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 orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 207' ' ' HOH . 39.9 tp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 111.964 0.357 . . . . 43.859999999999999 111.964 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.54 141.12 36.95 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.149 0.58 . . . . 33.909999999999997 110.394 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -76.83 176.77 8.21 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.417 -0.913 . . . . 27.52 108.819 164.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.56 -44.18 89.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.911 -0.493 . . . . 36.479999999999997 111.22 -175.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.57 -38.04 89.63 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 118.997 -1.081 . . . . 29.609999999999999 111.113 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.46 -35.18 91.36 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 119.786 -1.197 . . . . 20.93 112.561 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.11 -46.64 86.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 122.264 -0.551 . . . . 21.309999999999999 111.041 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -62.88 -40.86 98.81 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.71 -0.796 . . . . 27.84 111.721 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -58.25 -43.81 88.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.137 -0.625 . . . . 22.760000000000002 111.359 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -65.52 -38.58 90.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 122.35 -0.219 . . . . 35.200000000000003 110.785 -178.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.86 -33.14 70.33 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 121.91 -0.494 . . . . 23.949999999999999 111.576 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -63.35 -31.55 72.74 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 119.47 -0.892 . . . . 38.880000000000003 111.432 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.31 -33.65 49.16 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.836 -0.746 . . . . 57.079999999999998 111.744 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.41 -30.44 25.36 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.34 0.867 . . . . 28.34 113.34 -172.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . 0.432 HG21 HG22 ' A' ' 91' ' ' VAL . 99.5 t -94.24 114.74 64.04 Favored Pre-proline 0 C--O 1.239 0.524 0 N-CA-C 108.178 -1.045 . . . . 26.949999999999999 108.178 -167.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -84.74 -4.73 9.9 Favored 'Trans proline' 0 C--O 1.242 0.675 0 N-CA-C 114.878 1.068 . . . . 30.82 114.878 -170.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -93.2 -4.29 52.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 118.906 0.775 . . . . 33.270000000000003 112.597 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 mt -65.82 144.41 98.84 Favored Pre-proline 0 N--CA 1.447 -0.607 0 C-N-CA 120.056 -0.657 . . . . 33.009999999999998 109.503 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -59.65 144.24 99.48 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 N-CA-C 110.189 -0.735 . . . . 43.390000000000001 110.189 174.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -109.92 1.68 19.29 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.359 0.874 . . . . 75.609999999999999 113.359 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -131.78 23.44 4.64 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.614 0.643 . . . . 69.950000000000003 112.393 -171.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -164.44 167.02 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.144 -1.022 . . . . 66.349999999999994 109.746 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 202' ' ' HOH . 68.3 tttt -70.53 141.48 51.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.488 -1.233 . . . . 64.810000000000002 109.367 176.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.1 m -126.24 139.11 52.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.52 -0.919 . . . . 39.909999999999997 108.52 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 91.5 p -83.19 167.77 17.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.579 0.704 . . . . 37.130000000000003 110.249 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -64.0 -42.56 97.13 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.457 -0.897 . . . . 52.060000000000002 111.172 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.55 -36.48 77.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.322 -0.951 . . . . 38.609999999999999 110.423 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -41.99 95.02 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.706 -0.797 . . . . 71.209999999999994 110.741 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 85.6 mt -57.43 -48.32 83.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 119.913 -0.715 . . . . 22.75 110.422 175.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.18 -35.64 80.99 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.142 -1.023 . . . . 19.870000000000001 111.428 -175.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.07 -41.02 95.47 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.509 -0.876 . . . . 38.909999999999997 111.346 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -62.91 -42.15 99.69 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.507 -0.477 . . . . 26.98 111.642 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . 0.432 HG22 HG21 ' A' ' 73' ' ' VAL . 45.0 t -57.06 -47.41 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 20.899999999999999 110.675 176.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.0 mt -56.14 -48.94 78.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 CA-C-O 121.087 0.47 . . . . 22.27 110.474 -179.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -32.49 70.35 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.768 -0.773 . . . . 38.579999999999998 111.039 -174.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -67.96 -47.69 67.92 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.842 0.312 . . . . 27.690000000000001 111.842 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.19 -42.88 58.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 121.957 -0.464 . . . . 22.850000000000001 110.068 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -64.11 -41.82 97.1 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 118.904 -1.118 . . . . 53.390000000000001 111.67 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.05 -38.05 89.58 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 119.734 -0.786 . . . . 34.469999999999999 111.174 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.82 -41.71 87.06 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.958 -0.464 . . . . 25.760000000000002 110.91 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.36 -39.37 93.75 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.21 -0.596 . . . . 29.52 111.091 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.25 -34.66 77.9 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.716 -0.793 . . . . 57.18 111.332 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -69.62 -35.06 74.93 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.512 -0.475 . . . . 48.950000000000003 110.617 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.18 -26.63 68.89 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.584 0.216 . . . . 60.640000000000001 111.584 175.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -79.83 -13.05 59.69 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.747 0.647 . . . . 70.810000000000002 112.747 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 109.374 -0.602 . . . . 55.659999999999997 109.374 171.85 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' B' ' 203' ' ' HOH . 5.6 tp . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.287 0.565 . . . . 61.799999999999997 110.476 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.34 142.65 49.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.495 -0.775 . . . . 26.829999999999998 110.452 -161.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -75.93 178.32 6.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.84 -0.8 . . . . 29.809999999999999 108.84 166.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 32.1 tpp -59.08 -46.33 88.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.455 -0.898 . . . . 65.680000000000007 111.375 -176.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -62.57 -37.42 86.1 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 118.648 -1.221 . . . . 43.240000000000002 111.405 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.97 93.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 119.854 -1.165 . . . . 22.41 112.712 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 63.7 m -60.28 -46.43 89.85 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.441 -0.446 . . . . 22.0 111.226 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -64.1 -40.97 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.978 -1.089 . . . . 23.460000000000001 111.975 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.9 m -59.13 -42.73 91.33 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.514 -0.474 . . . . 26.52 110.767 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -64.55 -41.14 96.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.68 0.276 . . . . 29.620000000000001 111.174 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.08 -38.28 87.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.652 0.263 . . . . 24.489999999999998 111.014 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.14 -36.05 78.7 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.195 0.443 . . . . 48.5 112.195 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.8 -24.5 58.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.396 0.517 . . . . 57.950000000000003 112.396 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.94 -35.25 16.57 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.468 0.914 . . . . 29.82 113.468 -172.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.81 109.34 50.68 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 108.227 -1.027 . . . . 27.859999999999999 108.227 -164.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.31 -10.59 22.49 Favored 'Trans proline' 0 C--O 1.241 0.635 0 CA-C-N 119.468 0.846 . . . . 31.41 113.957 -171.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -86.61 -6.19 58.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.591 0.959 . . . . 39.189999999999998 113.591 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 mt -74.98 153.19 86.69 Favored Pre-proline 0 C--O 1.236 0.357 0 CA-C-N 118.546 0.612 . . . . 33.130000000000003 110.873 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.52 139.42 89.18 Favored 'Trans proline' 0 CA--C 1.516 -0.411 0 C-N-CA 120.239 0.626 . . . . 46.82 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' B' ' 225' ' ' HOH . 0.0 OUTLIER -76.15 -39.56 54.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.961 -1.018 . . . . 90.670000000000002 111.09 179.3 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -112.87 -28.38 7.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.639 0.977 . . . . 70.459999999999994 113.639 -172.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -81.9 142.13 32.76 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.419 0.554 . . . . 69.459999999999994 111.616 -171.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -66.04 140.13 58.25 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.821 -0.627 . . . . 97.280000000000001 110.549 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -121.69 125.79 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.993 -1.003 . . . . 52.369999999999997 108.672 -172.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 83.1 p -74.61 163.3 27.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 118.436 -1.306 . . . . 33.109999999999999 109.357 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -54.57 -43.74 72.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.003 -0.999 . . . . 56.439999999999998 110.972 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.81 -36.04 74.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 119.491 -0.883 . . . . 30.77 110.507 -175.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLU . . . . . 0.879 ' OE1' ' O ' ' B' ' 201' ' ' HOH . 57.5 tt0 -67.89 -40.25 83.54 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.138 -0.625 . . . . 45.689999999999998 110.899 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.59 -50.78 64.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.41 0.624 . . . . 29.079999999999998 110.437 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.05 -31.77 72.52 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.226 -0.99 . . . . 22.800000000000001 112.203 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLN . . . . . 0.727 ' OE1' ' O ' ' B' ' 202' ' ' HOH . 69.0 tp60 -64.18 -43.38 95.29 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.515 -0.874 . . . . 54.439999999999998 111.187 173.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -63.39 -39.79 95.48 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.591 -0.443 . . . . 30.91 111.61 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 42.2 t -59.57 -46.43 93.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.864 -0.335 . . . . 22.48 110.519 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.7 mt -59.73 -47.8 89.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.028 0.442 . . . . 22.670000000000002 110.83 -178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.79 -33.26 75.22 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 120.06 -0.656 . . . . 46.689999999999998 111.831 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.19 -42.58 72.19 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.619 -0.432 . . . . 27.289999999999999 111.684 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.68 -43.7 98.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.31 0.576 . . . . 27.09 109.825 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -64.3 -32.91 74.69 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 118.976 -1.09 . . . . 69.420000000000002 111.34 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.17 -47.09 65.91 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.693 0.282 . . . . 59.880000000000003 111.164 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.7 -40.38 94.83 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.502 -0.479 . . . . 39.75 111.564 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.3 -40.44 96.28 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.081 -0.648 . . . . 39.700000000000003 111.182 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.37 -42.87 71.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.142 -0.623 . . . . 58.630000000000003 111.646 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.17 -39.69 94.54 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.129 -0.628 . . . . 84.150000000000006 111.297 -179.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.327 -0.393 0 O-C-N 122.058 -0.401 . . . . 72.790000000000006 110.735 178.338 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . 0.489 ' O ' HD12 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' 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 ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.879 ' O ' ' OE1' ' B' ' 86' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.727 ' O ' ' OE1' ' B' ' 89' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . 0.776 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' 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 build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . 0.547 ' O ' ' HA ' ' B' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 207' ' ' HOH . 39.9 tp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 111.964 0.357 . . . . 43.86 111.964 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.54 141.12 36.95 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.149 0.58 . . . . 33.91 110.394 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -76.83 176.77 8.21 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 119.417 -0.913 . . . . 27.52 108.819 164.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.56 -44.18 89.61 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.911 -0.493 . . . . 36.48 111.22 -175.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.57 -38.04 89.63 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 118.997 -1.081 . . . . 29.61 111.113 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.46 -35.18 91.36 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 119.786 -1.197 . . . . 20.93 112.561 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.11 -46.64 86.35 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 122.264 -0.551 . . . . 21.31 111.041 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -62.88 -40.86 98.81 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 119.71 -0.796 . . . . 27.84 111.721 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -58.25 -43.81 88.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.137 -0.625 . . . . 22.76 111.359 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -65.52 -38.58 90.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 122.35 -0.219 . . . . 35.2 110.785 -178.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.86 -33.14 70.33 Favored 'General case' 0 C--O 1.239 0.509 0 O-C-N 121.91 -0.494 . . . . 23.95 111.576 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -63.35 -31.55 72.74 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 119.47 -0.892 . . . . 38.88 111.432 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -78.31 -33.65 49.16 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.836 -0.746 . . . . 57.08 111.744 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.41 -30.44 25.36 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.34 0.867 . . . . 28.34 113.34 -172.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.432 HG21 HG22 ' A' ' 91' ' ' VAL . 99.5 t -94.24 114.74 64.04 Favored Pre-proline 0 C--O 1.239 0.524 0 N-CA-C 108.178 -1.045 . . . . 26.95 108.178 -167.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -84.74 -4.73 9.9 Favored 'Trans proline' 0 C--O 1.242 0.675 0 N-CA-C 114.878 1.068 . . . . 30.82 114.878 -170.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -93.2 -4.29 52.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 118.906 0.775 . . . . 33.27 112.597 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 mt -65.82 144.41 98.84 Favored Pre-proline 0 N--CA 1.447 -0.607 0 C-N-CA 120.056 -0.657 . . . . 33.01 109.503 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -59.65 144.24 99.48 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 N-CA-C 110.189 -0.735 . . . . 43.39 110.189 174.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -109.92 1.68 19.29 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.359 0.874 . . . . 75.61 113.359 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -131.78 23.44 4.64 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.614 0.643 . . . . 69.95 112.393 -171.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -164.44 167.02 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.144 -1.022 . . . . 66.35 109.746 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 202' ' ' HOH . 68.3 tttt -70.53 141.48 51.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.488 -1.233 . . . . 64.81 109.367 176.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.1 m -126.24 139.11 52.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 108.52 -0.919 . . . . 39.91 108.52 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 91.5 p -83.19 167.77 17.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.579 0.704 . . . . 37.13 110.249 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -64.0 -42.56 97.13 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.457 -0.897 . . . . 52.06 111.172 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.55 -36.48 77.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.322 -0.951 . . . . 38.61 110.423 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -41.99 95.02 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.706 -0.797 . . . . 71.21 110.741 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 85.6 mt -57.43 -48.32 83.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 119.913 -0.715 . . . . 22.75 110.422 175.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.18 -35.64 80.99 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.142 -1.023 . . . . 19.87 111.428 -175.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.07 -41.02 95.47 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.509 -0.876 . . . . 38.91 111.346 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -62.91 -42.15 99.69 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.507 -0.477 . . . . 26.98 111.642 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.432 HG22 HG21 ' A' ' 73' ' ' VAL . 45.0 t -57.06 -47.41 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 20.9 110.675 176.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.0 mt -56.14 -48.94 78.43 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 CA-C-O 121.087 0.47 . . . . 22.27 110.474 -179.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -32.49 70.35 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.768 -0.773 . . . . 38.58 111.039 -174.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -67.96 -47.69 67.92 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.842 0.312 . . . . 27.69 111.842 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.19 -42.88 58.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 O-C-N 121.957 -0.464 . . . . 22.85 110.068 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -64.11 -41.82 97.1 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 118.904 -1.118 . . . . 53.39 111.67 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.05 -38.05 89.58 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 119.734 -0.786 . . . . 34.47 111.174 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.82 -41.71 87.06 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.958 -0.464 . . . . 25.76 110.91 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.36 -39.37 93.75 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.21 -0.596 . . . . 29.52 111.091 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.8 mt -67.25 -34.66 77.9 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 119.716 -0.793 . . . . 57.18 111.332 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -69.62 -35.06 74.93 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.512 -0.475 . . . . 48.95 110.617 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.18 -26.63 68.89 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.584 0.216 . . . . 60.64 111.584 175.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -79.83 -13.05 59.69 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.747 0.647 . . . . 70.81 112.747 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 109.374 -0.602 . . . . 55.66 109.374 171.85 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' B' ' 203' ' ' HOH . 5.6 tp . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.287 0.565 . . . . 61.8 110.476 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.34 142.65 49.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.495 -0.775 . . . . 26.83 110.452 -161.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -75.93 178.32 6.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.84 -0.8 . . . . 29.81 108.84 166.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 32.1 tpp -59.08 -46.33 88.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.455 -0.898 . . . . 65.68 111.375 -176.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -62.57 -37.42 86.1 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 118.648 -1.221 . . . . 43.24 111.405 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.97 93.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 119.854 -1.165 . . . . 22.41 112.712 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 63.7 m -60.28 -46.43 89.85 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.441 -0.446 . . . . 22.0 111.226 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -64.1 -40.97 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.978 -1.089 . . . . 23.46 111.975 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.9 m -59.13 -42.73 91.33 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.514 -0.474 . . . . 26.52 110.767 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -64.55 -41.14 96.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.68 0.276 . . . . 29.62 111.174 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.08 -38.28 87.87 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.652 0.263 . . . . 24.49 111.014 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.14 -36.05 78.7 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.195 0.443 . . . . 48.5 112.195 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.8 -24.5 58.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.396 0.517 . . . . 57.95 112.396 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.94 -35.25 16.57 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.468 0.914 . . . . 29.82 113.468 -172.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.81 109.34 50.68 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 108.227 -1.027 . . . . 27.86 108.227 -164.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.31 -10.59 22.49 Favored 'Trans proline' 0 C--O 1.241 0.635 0 CA-C-N 119.468 0.846 . . . . 31.41 113.957 -171.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -86.61 -6.19 58.93 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.591 0.959 . . . . 39.19 113.591 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 mt -74.98 153.19 86.69 Favored Pre-proline 0 C--O 1.236 0.357 0 CA-C-N 118.546 0.612 . . . . 33.13 110.873 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.52 139.42 89.18 Favored 'Trans proline' 0 CA--C 1.516 -0.411 0 C-N-CA 120.239 0.626 . . . . 46.82 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.684 ' NE2' ' O ' ' B' ' 205' ' ' HOH . 1.4 tt0 -76.15 -39.56 54.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 114.961 -1.018 . . . . 90.67 111.09 179.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -112.87 -28.38 7.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.639 0.977 . . . . 70.46 113.639 -172.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -81.9 142.13 32.76 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.419 0.554 . . . . 69.46 111.616 -171.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -66.04 140.13 58.25 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.821 -0.627 . . . . 97.28 110.549 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -121.69 125.79 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.993 -1.003 . . . . 52.37 108.672 -172.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 83.1 p -74.61 163.3 27.88 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 118.436 -1.306 . . . . 33.11 109.357 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -54.57 -43.74 72.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.003 -0.999 . . . . 56.44 110.972 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.81 -36.04 74.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 119.491 -0.883 . . . . 30.77 110.507 -175.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.879 ' OE1' ' O ' ' B' ' 201' ' ' HOH . 57.5 tt0 -67.89 -40.25 83.54 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.138 -0.625 . . . . 45.69 110.899 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 89.5 mt -55.59 -50.78 64.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.41 0.624 . . . . 29.08 110.437 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.05 -31.77 72.52 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.226 -0.99 . . . . 22.8 112.203 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLN . . . . . 0.727 ' OE1' ' O ' ' B' ' 202' ' ' HOH . 69.0 tp60 -64.18 -43.38 95.29 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.515 -0.874 . . . . 54.44 111.187 173.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -63.39 -39.79 95.48 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.591 -0.443 . . . . 30.91 111.61 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 42.2 t -59.57 -46.43 93.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 120.864 -0.335 . . . . 22.48 110.519 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.7 mt -59.73 -47.8 89.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.028 0.442 . . . . 22.67 110.83 -178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.79 -33.26 75.22 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 120.06 -0.656 . . . . 46.69 111.831 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.19 -42.58 72.19 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.619 -0.432 . . . . 27.29 111.684 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.68 -43.7 98.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.31 0.576 . . . . 27.09 109.825 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -64.3 -32.91 74.69 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 118.976 -1.09 . . . . 69.42 111.34 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.17 -47.09 65.91 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.693 0.282 . . . . 59.88 111.164 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.7 -40.38 94.83 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.502 -0.479 . . . . 39.75 111.564 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.3 -40.44 96.28 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.081 -0.648 . . . . 39.7 111.182 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.37 -42.87 71.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.142 -0.623 . . . . 58.63 111.646 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.17 -39.69 94.54 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.129 -0.628 . . . . 84.15 111.297 -179.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.327 -0.393 0 O-C-N 122.058 -0.401 . . . . 72.79 110.735 178.338 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . 0.489 ' O ' HD12 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' 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 ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.879 ' O ' ' OE1' ' B' ' 86' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.727 ' O ' ' OE1' ' B' ' 89' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . 0.776 ' O ' ' N ' ' B' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . 0.684 ' O ' ' NE2' ' B' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . 0.519 ' O ' ' NE2' ' B' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' 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 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . 0.547 ' O ' ' HA ' ' B' ' 78' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_