data_2nxq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2nxq _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.299 0 N-CA-C 110.238 -0.282 . . . . 96.78 110.238 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.35 -61.44 1.72 Allowed 'General case' 0 C--N 1.332 -0.164 1 N-CA-C 123.047 4.462 . . . . 102.58 123.047 -176.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -24.96 64.43 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.059 -1.83 . . . . 85.45 106.059 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.5 tp -65.7 -44.82 84.98 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.696 -1.138 . . . . 71.68 110.601 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.38 -37.69 85.84 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.139 -1.024 . . . . 61.66 109.057 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -68.6 -35.41 77.3 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.832 -0.622 . . . . 63.08 110.072 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.69 -41.61 87.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.855 -0.424 . . . . 74.58 109.855 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.5 mt -73.75 -41.87 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.024 -0.732 . . . . 56.75 109.024 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -72.8 79.27 1.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.71 -1.218 . . . . 58.33 107.71 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.9 -34.28 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 120.251 3.426 . . . . 60.79 120.251 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.17 9.54 35.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 118.617 -1.233 . . . . 60.92 109.522 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.35 29.07 62.72 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 121.14 3.216 . . . . 59.98 121.14 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -96.43 13.9 26.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.799 2.518 . . . . 62.2 117.799 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.6 59.48 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.487 1.355 . . . . 57.86 116.487 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.24 134.73 54.76 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.667 -0.902 . . . . 56.75 110.749 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.54 114.34 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 105.916 -1.883 . . . . 55.59 105.916 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.0 p -85.81 175.44 8.67 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 112.316 0.488 . . . . 53.15 112.316 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.09 -44.66 79.44 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.514 -0.55 . . . . 54.99 109.514 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.05 70.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.275 0.559 . . . . 80.29 111.108 177.297 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.58 -35.91 81.36 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.704 1.002 . . . . 59.55 113.704 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.68 -41.31 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.084 -1.821 . . . . 52.74 106.084 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.46 -38.22 86.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.469 0.914 . . . . 67.64 113.469 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.73 -32.81 68.14 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.986 -0.746 . . . . 51.34 108.986 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.16 -49.9 39.04 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 113.784 1.031 . . . . 47.15 113.784 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.95 -39.17 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 106.401 -1.703 . . . . 53.2 106.401 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 t -61.97 -49.77 74.78 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.881 1.067 . . . . 58.91 113.881 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.47 -24.84 59.09 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 72.35 112.125 -179.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -65.79 -43.77 87.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.546 -1.279 . . . . 77.39 107.546 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.0 ttm-85 -63.7 -44.7 92.87 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.316 -0.856 . . . . 82.68 110.761 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.84 94.59 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 53.57 110.784 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.61 -41.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.414 . . . . 52.78 111.758 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' NZ ' ' OE1' ' A' ' 36' ' ' GLN . 1.7 tptp -64.32 -35.15 79.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.333 0.587 . . . . 81.27 111.613 -179.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -69.06 -43.96 73.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.889 -0.596 . . . . 62.6 109.862 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -58.91 -50.99 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.988 0.423 . . . . 72.11 110.831 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . 0.537 ' OE1' ' NZ ' ' A' ' 33' ' ' LYS . 95.5 mt-30 -57.53 -38.95 75.52 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 112.912 0.708 . . . . 58.0 112.912 -177.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.68 -44.23 70.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.67 -0.812 . . . . 56.3 110.007 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -48.08 82.41 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 110.083 -0.34 . . . . 61.09 110.083 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -59.31 -42.04 90.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 61.06 111.342 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.26 -37.79 88.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.126 -0.694 . . . . 56.64 109.126 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.88 -39.17 79.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 109.375 -0.602 . . . . 57.02 109.375 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.44 -60.07 4.07 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.273 -1.01 . . . . 63.22 108.273 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -46.88 -34.63 5.59 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 113.356 0.873 . . . . 76.1 113.356 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -26.36 57.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.977 0.732 . . . . 70.19 112.977 -178.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.99 -37.83 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.81 -1.182 . . . . 65.18 107.81 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -73.33 70.64 1.2 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.3 -1.0 . . . . 68.79 108.3 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 118.236 2.68 . . . . 75.62 118.236 -178.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -104.45 5.14 33.94 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 118.544 -1.262 . . . . 83.07 113.635 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.57 21.04 57.14 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 120.015 2.766 . . . . 74.73 120.015 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -80.5 -4.64 54.63 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.608 1.204 . . . . 71.84 110.695 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.62 21.53 36.84 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 118.218 2.047 . . . . 71.96 118.218 177.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -156.25 151.71 26.85 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 105.772 -1.936 . . . . 81.92 105.772 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.7 mt -106.74 118.79 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.454 -0.898 . . . . 67.68 108.965 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -88.46 169.09 12.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.846 -1.539 . . . . 67.62 106.846 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -57.9 -21.57 44.1 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.348 1.24 . . . . 70.13 114.348 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -79.37 -50.3 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 119.713 -0.795 . . . . 81.73 109.646 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -57.47 -39.57 76.65 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.084 -1.08 . . . . 68.32 108.084 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.05 -37.08 86.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 124.024 0.828 . . . . 66.77 111.178 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 -45.27 79.43 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.308 0.855 . . . . 71.82 113.308 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -57.67 -55.04 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.006 -0.738 . . . . 88.3 109.006 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -43.97 -44.88 7.49 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.222 -0.899 . . . . 84.19 111.824 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -84.41 170.07 13.93 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 118.908 -1.117 . . . . 95.3 113.027 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.14 55.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 104.616 -3.394 . . . . 106.17 104.616 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p 56.14 45.19 23.87 Favored 'General case' 0 C--O 1.237 0.407 1 N-CA-C 94.59 -6.078 . . . . 111.3 94.59 -175.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.291 0.1 OUTLIER 23.58 101.02 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 127.996 2.518 . . . . 113.51 117.611 -176.015 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . . . -159.42 114.22 2.41 Favored 'General case' 0 N--CA 1.446 -0.648 1 N-CA-C 97.343 -5.058 . . . . 113.59 97.343 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 119.426 -1.368 . . . . 111.34 110.364 -178.777 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 216' ' ' HOH . . . . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 113.9 1.074 . . . . 96.01 113.9 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 216' ' ' HOH . 1.0 OUTLIER -52.05 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 1 N-CA-C 125.914 5.524 . . . . 100.56 125.914 -177.393 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.54 69.6 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.525 -0.734 . . . . 85.59 112.483 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.94 -41.83 98.42 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.422 -0.808 . . . . 72.37 110.351 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -64.21 -36.7 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.674 -0.81 . . . . 61.71 110.682 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.34 -35.22 75.69 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.498 -0.556 . . . . 59.19 109.498 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.81 -39.45 87.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.338 -0.545 . . . . 74.25 111.661 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.46 -42.64 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.522 -0.918 . . . . 56.32 108.522 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.54 72.73 0.51 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.817 0.818 . . . . 57.14 109.087 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.25 -33.94 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 120.706 3.595 . . . . 59.54 120.706 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -94.92 4.8 53.4 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.216 -0.993 . . . . 60.25 111.068 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.49 23.29 64.61 Favored Glycine 0 C--O 1.222 -0.616 1 N-CA-C 123.108 4.003 . . . . 59.41 123.108 177.033 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 44.4 p30 -88.4 10.54 19.65 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 116.32 1.97 . . . . 61.27 116.32 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 -8.02 74.71 Favored Glycine 0 C--O 1.218 -0.873 0 N-CA-C 115.944 1.138 . . . . 56.93 115.944 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.27 137.43 54.24 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 121.609 -0.936 . . . . 56.39 110.503 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.85 115.2 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 105.503 -2.036 . . . . 56.58 105.503 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.0 p -86.39 169.91 12.48 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.852 0.686 . . . . 53.03 112.852 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.02 -48.95 77.99 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.442 -0.345 . . . . 56.26 111.006 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.18 -21.9 65.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.104 0.409 . . . . 83.27 112.104 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -82.37 -33.43 28.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.88 -0.513 . . . . 59.49 110.886 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.2 -41.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 105.141 -2.17 . . . . 52.55 105.141 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -62.29 -43.82 97.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.503 -0.771 . . . . 69.13 112.506 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.13 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.511 -0.476 . . . . 50.23 110.512 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.66 -48.12 56.46 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.833 0.679 . . . . 49.93 112.833 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.9 -43.28 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.938 -1.134 . . . . 52.19 107.938 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -60.84 -50.36 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.793 -0.639 . . . . 64.57 111.633 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -60.66 -39.97 90.34 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.513 -0.767 . . . . 64.17 111.138 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -63.82 -40.81 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 69.56 110.805 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -61.13 -51.55 68.6 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.789 -1.096 . . . . 78.49 109.972 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.6 73.52 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 123.231 0.612 . . . . 52.66 111.644 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.42 -44.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 53.78 112.363 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -64.48 -35.15 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.979 0.418 . . . . 78.45 111.622 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -70.09 -42.63 72.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.983 -0.553 . . . . 62.79 109.838 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -58.73 -54.78 43.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.337 0.589 . . . . 72.52 109.711 178.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -54.4 -36.56 64.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 113.467 0.914 . . . . 58.62 113.467 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.62 -45.47 61.97 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.407 -0.917 . . . . 54.46 109.463 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.44 85.61 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.789 -0.449 . . . . 59.75 109.789 179.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.03 -44.72 91.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.067 0.46 . . . . 64.37 111.622 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.94 -44.26 97.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.972 -0.751 . . . . 58.58 108.972 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.27 -41.15 90.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 109.752 -0.462 . . . . 59.23 109.752 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.95 -56.76 15.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.27 0.557 . . . . 62.04 110.669 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -54.11 -28.8 41.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.558 0.947 . . . . 74.8 113.558 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.77 -29.73 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.218 -0.993 . . . . 71.25 111.817 -178.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.9 mt -76.95 -38.55 28.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 107.728 -1.212 . . . . 67.66 107.728 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -73.11 65.04 0.77 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.72 1.208 . . . . 70.19 111.602 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.27 -47.98 18.11 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 117.283 2.327 . . . . 75.62 117.283 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' B' ' 48' ' ' ASP . 2.5 p30 -79.42 6.04 11.2 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 118.864 -1.135 . . . . 82.63 113.824 -178.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.94 32.17 18.69 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 119.272 2.469 . . . . 74.95 119.272 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -93.0 3.16 56.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.182 0.991 . . . . 73.49 112.915 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.07 2.75 68.48 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 119.281 2.473 . . . . 70.35 119.281 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.0 150.62 44.67 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 104.234 -2.506 . . . . 80.23 104.234 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.54 122.16 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 116.792 -1.963 . . . . 67.23 105.837 177.093 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -86.64 167.95 14.06 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.737 -0.468 . . . . 68.06 109.737 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.47 -25.84 27.63 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.677 0.621 . . . . 71.16 112.677 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.32 -52.06 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.24 -0.584 . . . . 81.33 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -57.1 -40.37 76.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.622 -0.881 . . . . 68.33 108.622 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -64.64 -39.99 94.66 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 112.866 0.691 . . . . 69.5 112.866 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.26 82.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.636 0.606 . . . . 74.89 112.636 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -55.13 -55.13 34.64 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.286 -1.376 . . . . 89.82 107.286 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.0 -54.53 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.951 1.093 . . . . 85.61 113.951 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -73.06 163.68 27.81 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.453 1.649 . . . . 95.65 115.453 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.82 -131.76 3.35 Favored Glycine 0 CA--C 1.503 -0.686 1 N-CA-C 98.562 -5.815 . . . . 100.42 98.562 -179.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 35.6 m -74.83 -20.97 59.54 Favored 'General case' 0 C--N 1.33 -0.269 1 N-CA-C 94.507 -6.109 . . . . 102.08 94.507 174.182 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.248 1.021 0 C-N-CA 128.128 2.571 . . . . 100.54 106.668 -179.433 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 ' 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 0 . 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 . . . . . 0.513 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.299 0 N-CA-C 110.238 -0.282 . . . . 96.78 110.238 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 214' ' ' HOH . 3.7 mm-40 -87.35 -61.44 1.72 Allowed 'General case' 0 C--N 1.332 -0.164 1 N-CA-C 123.047 4.462 . . . . 102.58 123.047 -176.149 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -24.96 64.43 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.059 -1.83 . . . . 85.45 106.059 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.5 tp -65.7 -44.82 84.98 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.696 -1.138 . . . . 71.68 110.601 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.38 -37.69 85.84 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.139 -1.024 . . . . 61.66 109.057 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -68.6 -35.41 77.3 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.832 -0.622 . . . . 63.08 110.072 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.69 -41.61 87.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.855 -0.424 . . . . 74.58 109.855 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.5 mt -73.75 -41.87 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.024 -0.732 . . . . 56.75 109.024 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -72.8 79.27 1.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.71 -1.218 . . . . 58.33 107.71 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.9 -34.28 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 120.251 3.426 . . . . 60.79 120.251 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.17 9.54 35.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 118.617 -1.233 . . . . 60.92 109.522 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.35 29.07 62.72 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 121.14 3.216 . . . . 59.98 121.14 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -96.43 13.9 26.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.799 2.518 . . . . 62.2 117.799 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.6 59.48 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.487 1.355 . . . . 57.86 116.487 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.24 134.73 54.76 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.667 -0.902 . . . . 56.75 110.749 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.54 114.34 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 105.916 -1.883 . . . . 55.59 105.916 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.0 p -85.81 175.44 8.67 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 112.316 0.488 . . . . 53.15 112.316 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.09 -44.66 79.44 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.514 -0.55 . . . . 54.99 109.514 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.05 70.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.275 0.559 . . . . 80.29 111.108 177.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.58 -35.91 81.36 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.704 1.002 . . . . 59.55 113.704 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.68 -41.31 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.084 -1.821 . . . . 52.74 106.084 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.46 -38.22 86.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.469 0.914 . . . . 67.64 113.469 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.73 -32.81 68.14 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.986 -0.746 . . . . 51.34 108.986 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.16 -49.9 39.04 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 113.784 1.031 . . . . 47.15 113.784 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.95 -39.17 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 106.401 -1.703 . . . . 53.2 106.401 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 t -61.97 -49.77 74.78 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.881 1.067 . . . . 58.91 113.881 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.47 -24.84 59.09 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 72.35 112.125 -179.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -65.79 -43.77 87.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.546 -1.279 . . . . 77.39 107.546 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.0 ttm-85 -63.7 -44.7 92.87 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.316 -0.856 . . . . 82.68 110.761 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.84 94.59 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 53.57 110.784 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.61 -41.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.414 . . . . 52.78 111.758 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.32 -35.15 79.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.333 0.587 . . . . 81.27 111.613 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -69.06 -43.96 73.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.889 -0.596 . . . . 62.6 109.862 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -58.91 -50.99 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.988 0.423 . . . . 72.11 110.831 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -57.53 -38.95 75.52 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 112.912 0.708 . . . . 58.0 112.912 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.68 -44.23 70.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.67 -0.812 . . . . 56.3 110.007 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -61.69 -48.08 82.41 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 110.083 -0.34 . . . . 61.09 110.083 -179.546 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -59.31 -42.04 90.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 61.06 111.342 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' C ' HD23 ' A' ' 40' ' ' LEU . 7.8 tt -64.26 -37.79 88.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.126 -0.694 . . . . 56.64 109.126 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.88 -39.17 79.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 109.375 -0.602 . . . . 57.02 109.375 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.44 -60.07 4.07 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.273 -1.01 . . . . 63.22 108.273 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -46.88 -34.63 5.59 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 113.356 0.873 . . . . 76.1 113.356 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -26.36 57.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.977 0.732 . . . . 70.19 112.977 -178.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.99 -37.83 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.81 -1.182 . . . . 65.18 107.81 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -73.33 70.64 1.2 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.3 -1.0 . . . . 68.79 108.3 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 118.236 2.68 . . . . 75.62 118.236 -178.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -104.45 5.14 33.94 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 118.544 -1.262 . . . . 83.07 113.635 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.57 21.04 57.14 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 120.015 2.766 . . . . 74.73 120.015 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -80.5 -4.64 54.63 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.608 1.204 . . . . 71.84 110.695 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.62 21.53 36.84 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 118.218 2.047 . . . . 71.96 118.218 177.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -156.25 151.71 26.85 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 105.772 -1.936 . . . . 81.92 105.772 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.7 mt -106.74 118.79 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.454 -0.898 . . . . 67.68 108.965 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -88.46 169.09 12.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.846 -1.539 . . . . 67.62 106.846 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -57.9 -21.57 44.1 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.348 1.24 . . . . 70.13 114.348 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -79.37 -50.3 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 119.713 -0.795 . . . . 81.73 109.646 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -57.47 -39.57 76.65 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.084 -1.08 . . . . 68.32 108.084 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.05 -37.08 86.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 124.024 0.828 . . . . 66.77 111.178 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 -45.27 79.43 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.308 0.855 . . . . 71.82 113.308 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -57.67 -55.04 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.006 -0.738 . . . . 88.3 109.006 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -43.97 -44.88 7.49 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.222 -0.899 . . . . 84.19 111.824 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TYR . . . . . 0.571 ' OH ' ' H2 ' ' A' ' 201' ' ' ACT . 20.6 m-85 -84.41 170.07 13.93 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 118.908 -1.117 . . . . 95.3 113.027 179.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.14 55.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 104.616 -3.394 . . . . 106.17 104.616 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p 56.14 45.19 23.87 Favored 'General case' 0 C--O 1.237 0.407 1 N-CA-C 94.59 -6.078 . . . . 111.3 94.59 -175.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . 0.541 ' O ' HG13 ' A' ' 65' ' ' ILE 0.291 0.1 OUTLIER 23.58 101.02 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 127.996 2.518 . . . . 113.51 117.611 -176.015 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . . . -159.42 114.22 2.41 Favored 'General case' 0 N--CA 1.446 -0.648 1 N-CA-C 97.343 -5.058 . . . . 113.59 97.343 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 119.426 -1.368 . . . . 111.34 110.364 -178.777 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 216' ' ' HOH . . . . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 113.9 1.074 . . . . 96.01 113.9 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 216' ' ' HOH . 1.0 OUTLIER -52.05 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 1 N-CA-C 125.914 5.524 . . . . 100.56 125.914 -177.393 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.54 69.6 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.525 -0.734 . . . . 85.59 112.483 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.94 -41.83 98.42 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.422 -0.808 . . . . 72.37 110.351 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -64.21 -36.7 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.674 -0.81 . . . . 61.71 110.682 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.34 -35.22 75.69 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.498 -0.556 . . . . 59.19 109.498 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.81 -39.45 87.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.338 -0.545 . . . . 74.25 111.661 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.46 -42.64 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.522 -0.918 . . . . 56.32 108.522 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.54 72.73 0.51 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.817 0.818 . . . . 57.14 109.087 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.25 -33.94 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 120.706 3.595 . . . . 59.54 120.706 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -94.92 4.8 53.4 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.216 -0.993 . . . . 60.25 111.068 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.49 23.29 64.61 Favored Glycine 0 C--O 1.222 -0.616 1 N-CA-C 123.108 4.003 . . . . 59.41 123.108 177.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 44.4 p30 -88.4 10.54 19.65 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 116.32 1.97 . . . . 61.27 116.32 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 -8.02 74.71 Favored Glycine 0 C--O 1.218 -0.873 0 N-CA-C 115.944 1.138 . . . . 56.93 115.944 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.27 137.43 54.24 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 121.609 -0.936 . . . . 56.39 110.503 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.85 115.2 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 105.503 -2.036 . . . . 56.58 105.503 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.0 p -86.39 169.91 12.48 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.852 0.686 . . . . 53.03 112.852 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.02 -48.95 77.99 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.442 -0.345 . . . . 56.26 111.006 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.18 -21.9 65.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.104 0.409 . . . . 83.27 112.104 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -82.37 -33.43 28.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.88 -0.513 . . . . 59.49 110.886 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.2 -41.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 105.141 -2.17 . . . . 52.55 105.141 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -62.29 -43.82 97.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.503 -0.771 . . . . 69.13 112.506 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.13 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.511 -0.476 . . . . 50.23 110.512 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.66 -48.12 56.46 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.833 0.679 . . . . 49.93 112.833 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.9 -43.28 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.938 -1.134 . . . . 52.19 107.938 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -60.84 -50.36 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.793 -0.639 . . . . 64.57 111.633 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -60.66 -39.97 90.34 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.513 -0.767 . . . . 64.17 111.138 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -63.82 -40.81 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 69.56 110.805 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -61.13 -51.55 68.6 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.789 -1.096 . . . . 78.49 109.972 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.6 73.52 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 123.231 0.612 . . . . 52.66 111.644 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.42 -44.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 53.78 112.363 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -64.48 -35.15 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.979 0.418 . . . . 78.45 111.622 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -70.09 -42.63 72.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.983 -0.553 . . . . 62.79 109.838 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 46.9 mm-40 -58.73 -54.78 43.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.337 0.589 . . . . 72.52 109.711 178.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -54.4 -36.56 64.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 113.467 0.914 . . . . 58.62 113.467 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.62 -45.47 61.97 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.407 -0.917 . . . . 54.46 109.463 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.44 85.61 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.789 -0.449 . . . . 59.75 109.789 179.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 35' ' ' GLU . 53.7 mt-30 -59.03 -44.72 91.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.067 0.46 . . . . 64.37 111.622 179.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.94 -44.26 97.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.972 -0.751 . . . . 58.58 108.972 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.27 -41.15 90.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 109.752 -0.462 . . . . 59.23 109.752 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.95 -56.76 15.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.27 0.557 . . . . 62.04 110.669 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -54.11 -28.8 41.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.558 0.947 . . . . 74.8 113.558 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.77 -29.73 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.218 -0.993 . . . . 71.25 111.817 -178.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.9 mt -76.95 -38.55 28.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 107.728 -1.212 . . . . 67.66 107.728 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -73.11 65.04 0.77 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.72 1.208 . . . . 70.19 111.602 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.27 -47.98 18.11 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 117.283 2.327 . . . . 75.62 117.283 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' B' ' 48' ' ' ASP . 2.5 p30 -79.42 6.04 11.2 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 118.864 -1.135 . . . . 82.63 113.824 -178.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.94 32.17 18.69 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 119.272 2.469 . . . . 74.95 119.272 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -93.0 3.16 56.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.182 0.991 . . . . 73.49 112.915 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.07 2.75 68.48 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 119.281 2.473 . . . . 70.35 119.281 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.0 150.62 44.67 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 104.234 -2.506 . . . . 80.23 104.234 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ILE . . . . . 1.048 HD11 ' HB2' ' B' ' 58' ' ' PHE . 0.5 OUTLIER -111.54 122.16 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 116.792 -1.963 . . . . 67.23 105.837 177.093 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . 0.5 ' O ' HD12 ' B' ' 53' ' ' ILE . 2.4 p30 -86.64 167.95 14.06 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.737 -0.468 . . . . 68.06 109.737 -178.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.47 -25.84 27.63 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.677 0.621 . . . . 71.16 112.677 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.32 -52.06 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.24 -0.584 . . . . 81.33 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . 0.569 ' OE1' ' HA ' ' B' ' 53' ' ' ILE . 85.6 mt-10 -57.1 -40.37 76.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.622 -0.881 . . . . 68.33 108.622 177.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PHE . . . . . 1.048 ' HB2' HD11 ' B' ' 53' ' ' ILE . 47.7 t80 -64.64 -39.99 94.66 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 112.866 0.691 . . . . 69.5 112.866 -179.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.26 82.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.636 0.606 . . . . 74.89 112.636 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -55.13 -55.13 34.64 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.286 -1.376 . . . . 89.82 107.286 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.0 -54.53 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.951 1.093 . . . . 85.61 113.951 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -73.06 163.68 27.81 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.453 1.649 . . . . 95.65 115.453 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.82 -131.76 3.35 Favored Glycine 0 CA--C 1.503 -0.686 1 N-CA-C 98.562 -5.815 . . . . 100.42 98.562 -179.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' B' ' 65' ' ' ILE . 35.6 m -74.83 -20.97 59.54 Favored 'General case' 0 C--N 1.33 -0.269 1 N-CA-C 94.507 -6.109 . . . . 102.08 94.507 174.182 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' B' ' 64' ' ' SER . 6.8 mt . . . . . 0 C--O 1.248 1.021 0 C-N-CA 128.128 2.571 . . . . 100.54 106.668 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ACT . . . . . 0.571 ' H2 ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 . . . . . 0.495 ' O ' ' HG3' ' A' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 . . . . . 0.513 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.299 0 N-CA-C 110.238 -0.282 . . . . 96.780000000000001 110.238 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 214' ' ' HOH . 3.7 mm-40 -87.35 -61.44 1.72 Allowed 'General case' 0 C--N 1.332 -0.164 1 N-CA-C 123.047 4.462 . . . . 102.58 123.047 -176.149 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -24.96 64.43 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.059 -1.83 . . . . 85.450000000000003 106.059 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.5 tp -65.7 -44.82 84.98 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.696 -1.138 . . . . 71.680000000000007 110.601 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.38 -37.69 85.84 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.139 -1.024 . . . . 61.659999999999997 109.057 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -68.6 -35.41 77.3 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.832 -0.622 . . . . 63.079999999999998 110.072 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.69 -41.61 87.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.855 -0.424 . . . . 74.579999999999998 109.855 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.5 mt -73.75 -41.87 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.024 -0.732 . . . . 56.75 109.024 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -72.8 79.27 1.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.71 -1.218 . . . . 58.329999999999998 107.71 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.9 -34.28 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 120.251 3.426 . . . . 60.789999999999999 120.251 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.17 9.54 35.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 118.617 -1.233 . . . . 60.920000000000002 109.522 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.35 29.07 62.72 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 121.14 3.216 . . . . 59.979999999999997 121.14 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -96.43 13.9 26.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.799 2.518 . . . . 62.200000000000003 117.799 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.89 -11.6 59.48 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.487 1.355 . . . . 57.859999999999999 116.487 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.24 134.73 54.76 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.667 -0.902 . . . . 56.75 110.749 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.54 114.34 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 105.916 -1.883 . . . . 55.590000000000003 105.916 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.0 p -85.81 175.44 8.67 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 112.316 0.488 . . . . 53.149999999999999 112.316 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.09 -44.66 79.44 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 109.514 -0.55 . . . . 54.990000000000002 109.514 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.05 70.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.275 0.559 . . . . 80.290000000000006 111.108 177.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.58 -35.91 81.36 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 113.704 1.002 . . . . 59.549999999999997 113.704 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.68 -41.31 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.084 -1.821 . . . . 52.740000000000002 106.084 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.46 -38.22 86.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.469 0.914 . . . . 67.640000000000001 113.469 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.73 -32.81 68.14 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.986 -0.746 . . . . 51.340000000000003 108.986 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -71.16 -49.9 39.04 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 113.784 1.031 . . . . 47.149999999999999 113.784 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.95 -39.17 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 106.401 -1.703 . . . . 53.200000000000003 106.401 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 t -61.97 -49.77 74.78 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.881 1.067 . . . . 58.909999999999997 113.881 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.47 -24.84 59.09 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 72.349999999999994 112.125 -179.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -65.79 -43.77 87.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.546 -1.279 . . . . 77.390000000000001 107.546 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.0 ttm-85 -63.7 -44.7 92.87 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.316 -0.856 . . . . 82.680000000000007 110.761 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.84 94.59 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.688 0.28 . . . . 53.57 110.784 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.61 -41.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.414 . . . . 52.780000000000001 111.758 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -64.32 -35.15 79.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.333 0.587 . . . . 81.269999999999996 111.613 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -69.06 -43.96 73.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.889 -0.596 . . . . 62.600000000000001 109.862 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -58.91 -50.99 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.988 0.423 . . . . 72.109999999999999 110.831 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -57.53 -38.95 75.52 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 112.912 0.708 . . . . 58.0 112.912 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.68 -44.23 70.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 119.67 -0.812 . . . . 56.299999999999997 110.007 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -61.69 -48.08 82.41 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 110.083 -0.34 . . . . 61.090000000000003 110.083 -179.546 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -59.31 -42.04 90.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 61.060000000000002 111.342 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 40' ' ' LEU . 7.8 tt -64.26 -37.79 88.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.126 -0.694 . . . . 56.640000000000001 109.126 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.88 -39.17 79.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 109.375 -0.602 . . . . 57.020000000000003 109.375 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -62.44 -60.07 4.07 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.273 -1.01 . . . . 63.219999999999999 108.273 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -46.88 -34.63 5.59 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 113.356 0.873 . . . . 76.099999999999994 113.356 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -26.36 57.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.977 0.732 . . . . 70.189999999999998 112.977 -178.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.99 -37.83 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.81 -1.182 . . . . 65.180000000000007 107.81 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -73.33 70.64 1.2 Allowed 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.3 -1.0 . . . . 68.790000000000006 108.3 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 118.236 2.68 . . . . 75.620000000000005 118.236 -178.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -104.45 5.14 33.94 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 118.544 -1.262 . . . . 83.069999999999993 113.635 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.57 21.04 57.14 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 120.015 2.766 . . . . 74.730000000000004 120.015 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -80.5 -4.64 54.63 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.608 1.204 . . . . 71.840000000000003 110.695 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.62 21.53 36.84 Favored Glycine 0 C--N 1.338 0.643 0 N-CA-C 118.218 2.047 . . . . 71.959999999999994 118.218 177.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -156.25 151.71 26.85 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 105.772 -1.936 . . . . 81.920000000000002 105.772 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.7 mt -106.74 118.79 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.454 -0.898 . . . . 67.680000000000007 108.965 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -88.46 169.09 12.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.846 -1.539 . . . . 67.620000000000005 106.846 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -57.9 -21.57 44.1 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.348 1.24 . . . . 70.129999999999995 114.348 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -79.37 -50.3 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 119.713 -0.795 . . . . 81.730000000000004 109.646 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -57.47 -39.57 76.65 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.084 -1.08 . . . . 68.319999999999993 108.084 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.05 -37.08 86.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 124.024 0.828 . . . . 66.769999999999996 111.178 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.67 -45.27 79.43 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.308 0.855 . . . . 71.819999999999993 113.308 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -57.67 -55.04 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.006 -0.738 . . . . 88.299999999999997 109.006 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -43.97 -44.88 7.49 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.222 -0.899 . . . . 84.189999999999998 111.824 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.571 ' OH ' ' H2 ' ' A' ' 201' ' ' ACT . 20.6 m-85 -84.41 170.07 13.93 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 118.908 -1.117 . . . . 95.299999999999997 113.027 179.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.14 55.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 104.616 -3.394 . . . . 106.17 104.616 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p 56.14 45.19 23.87 Favored 'General case' 0 C--O 1.237 0.407 1 N-CA-C 94.59 -6.078 . . . . 111.3 94.59 -175.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 65' ' ' ILE 0.291 0.1 OUTLIER 23.58 101.02 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 127.996 2.518 . . . . 113.51000000000001 117.611 -176.015 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . . . -159.42 114.22 2.41 Favored 'General case' 0 N--CA 1.446 -0.648 1 N-CA-C 97.343 -5.058 . . . . 113.59 97.343 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 119.426 -1.368 . . . . 111.34 110.364 -178.777 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 216' ' ' HOH . . . . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 113.9 1.074 . . . . 96.010000000000005 113.9 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 216' ' ' HOH . 1.0 OUTLIER -52.05 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 1 N-CA-C 125.914 5.524 . . . . 100.56 125.914 -177.393 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.54 69.6 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.525 -0.734 . . . . 85.590000000000003 112.483 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.94 -41.83 98.42 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.422 -0.808 . . . . 72.370000000000005 110.351 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -64.21 -36.7 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.674 -0.81 . . . . 61.710000000000001 110.682 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.34 -35.22 75.69 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.498 -0.556 . . . . 59.189999999999998 109.498 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.81 -39.45 87.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.338 -0.545 . . . . 74.25 111.661 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.46 -42.64 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.522 -0.918 . . . . 56.32 108.522 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.54 72.73 0.51 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.817 0.818 . . . . 57.140000000000001 109.087 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.25 -33.94 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 120.706 3.595 . . . . 59.539999999999999 120.706 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -94.92 4.8 53.4 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.216 -0.993 . . . . 60.25 111.068 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.49 23.29 64.61 Favored Glycine 0 C--O 1.222 -0.616 1 N-CA-C 123.108 4.003 . . . . 59.409999999999997 123.108 177.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 44.4 p30 -88.4 10.54 19.65 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 116.32 1.97 . . . . 61.270000000000003 116.32 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.86 -8.02 74.71 Favored Glycine 0 C--O 1.218 -0.873 0 N-CA-C 115.944 1.138 . . . . 56.93 115.944 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.27 137.43 54.24 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 121.609 -0.936 . . . . 56.390000000000001 110.503 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.85 115.2 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 105.503 -2.036 . . . . 56.579999999999998 105.503 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 54.0 p -86.39 169.91 12.48 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.852 0.686 . . . . 53.030000000000001 112.852 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.02 -48.95 77.99 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.442 -0.345 . . . . 56.259999999999998 111.006 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.18 -21.9 65.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.104 0.409 . . . . 83.269999999999996 112.104 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -82.37 -33.43 28.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.88 -0.513 . . . . 59.490000000000002 110.886 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.2 -41.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 105.141 -2.17 . . . . 52.549999999999997 105.141 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -62.29 -43.82 97.94 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.503 -0.771 . . . . 69.129999999999995 112.506 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.13 73.78 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.511 -0.476 . . . . 50.229999999999997 110.512 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.66 -48.12 56.46 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.833 0.679 . . . . 49.93 112.833 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.9 -43.28 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.938 -1.134 . . . . 52.189999999999998 107.938 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -60.84 -50.36 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.793 -0.639 . . . . 64.569999999999993 111.633 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -60.66 -39.97 90.34 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.513 -0.767 . . . . 64.170000000000002 111.138 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -63.82 -40.81 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 69.560000000000002 110.805 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -61.13 -51.55 68.6 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.789 -1.096 . . . . 78.489999999999995 109.972 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.6 73.52 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 123.231 0.612 . . . . 52.659999999999997 111.644 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.42 -44.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 53.780000000000001 112.363 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -64.48 -35.15 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.979 0.418 . . . . 78.450000000000003 111.622 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -70.09 -42.63 72.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.983 -0.553 . . . . 62.789999999999999 109.838 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 46.9 mm-40 -58.73 -54.78 43.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.337 0.589 . . . . 72.519999999999996 109.711 178.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -54.4 -36.56 64.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 113.467 0.914 . . . . 58.619999999999997 113.467 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.62 -45.47 61.97 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.407 -0.917 . . . . 54.460000000000001 109.463 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.44 85.61 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 109.789 -0.449 . . . . 59.75 109.789 179.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 35' ' ' GLU . 15.8 mt-30 -59.03 -44.72 91.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.067 0.46 . . . . 64.370000000000005 111.622 179.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.94 -44.26 97.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.972 -0.751 . . . . 58.579999999999998 108.972 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.27 -41.15 90.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 N-CA-C 109.752 -0.462 . . . . 59.229999999999997 109.752 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.95 -56.76 15.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.27 0.557 . . . . 62.039999999999999 110.669 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -54.11 -28.8 41.82 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.558 0.947 . . . . 74.799999999999997 113.558 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.77 -29.73 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.218 -0.993 . . . . 71.25 111.817 -178.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 72.9 mt -76.95 -38.55 28.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 107.728 -1.212 . . . . 67.659999999999997 107.728 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -73.11 65.04 0.77 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.72 1.208 . . . . 70.189999999999998 111.602 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.27 -47.98 18.11 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 117.283 2.327 . . . . 75.620000000000005 117.283 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' B' ' 48' ' ' ASP . 2.5 p30 -79.42 6.04 11.2 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 118.864 -1.135 . . . . 82.629999999999995 113.824 -178.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.94 32.17 18.69 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 119.272 2.469 . . . . 74.950000000000003 119.272 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -93.0 3.16 56.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.182 0.991 . . . . 73.489999999999995 112.915 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.07 2.75 68.48 Favored Glycine 0 C--N 1.338 0.686 0 N-CA-C 119.281 2.473 . . . . 70.349999999999994 119.281 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.0 150.62 44.67 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 104.234 -2.506 . . . . 80.230000000000004 104.234 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ILE . . . . . 1.048 HD11 ' HB2' ' B' ' 58' ' ' PHE . 0.5 OUTLIER -111.54 122.16 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 116.792 -1.963 . . . . 67.230000000000004 105.837 177.093 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.5 ' O ' HD12 ' B' ' 53' ' ' ILE . 2.4 p30 -86.64 167.95 14.06 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.737 -0.468 . . . . 68.060000000000002 109.737 -178.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.47 -25.84 27.63 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.677 0.621 . . . . 71.159999999999997 112.677 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -74.32 -52.06 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.24 -0.584 . . . . 81.329999999999998 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.569 ' OE1' ' HA ' ' B' ' 53' ' ' ILE . 85.6 mt-10 -57.1 -40.37 76.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.622 -0.881 . . . . 68.329999999999998 108.622 177.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PHE . . . . . 1.048 ' HB2' HD11 ' B' ' 53' ' ' ILE . 47.7 t80 -64.64 -39.99 94.66 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 112.866 0.691 . . . . 69.5 112.866 -179.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.28 -43.26 82.24 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.636 0.606 . . . . 74.890000000000001 112.636 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -55.13 -55.13 34.64 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.286 -1.376 . . . . 89.819999999999993 107.286 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.0 -54.53 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.951 1.093 . . . . 85.609999999999999 113.951 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -73.06 163.68 27.81 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 115.453 1.649 . . . . 95.650000000000006 115.453 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.82 -131.76 3.35 Favored Glycine 0 CA--C 1.503 -0.686 1 N-CA-C 98.562 -5.815 . . . . 100.42 98.562 -179.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' B' ' 65' ' ' ILE . 35.6 m -74.83 -20.97 59.54 Favored 'General case' 0 C--N 1.33 -0.269 1 N-CA-C 94.507 -6.109 . . . . 102.08 94.507 174.182 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' B' ' 64' ' ' SER . 6.8 mt . . . . . 0 C--O 1.248 1.021 0 C-N-CA 128.128 2.571 . . . . 100.54000000000001 106.668 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ACT . . . . . 0.571 ' H2 ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 . . . . . 0.495 ' O ' ' HG3' ' A' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 0 . 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 . . . . . 0.513 ' O ' ' N ' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 stop_ save_