data_6mue_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6mue _Structure_validation_residue.Date_analyzed 2019-05-03 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 ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 109.252 -0.647 . . . . 80.02 109.252 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -93.25 17.15 11.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.941 0.896 . . . . 87.23 109.334 163.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -88.26 -14.79 37.55 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.73 0.812 . . . . 73.99 109.284 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.89 -38.25 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 N-CA-C 108.459 -0.941 . . . . 62.48 108.459 173.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.13 86.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.442 -0.577 . . . . 51.36 109.442 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.51 -38.06 86.4 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 123.51 0.506 . . . . 81.43 109.701 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -68.44 -31.65 71.1 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.612 -0.233 . . . . 49.81 110.599 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -68.64 -38.16 80.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.314 -0.625 . . . . 58.11 109.314 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -65.22 -45.21 85.61 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.84 -0.429 . . . . 61.95 109.84 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.73 96.72 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.419 -0.956 . . . . 31.02 108.419 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -56.58 -47.26 79.93 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 109.734 -0.469 . . . . 27.8 109.734 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 p -62.23 -28.11 69.46 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.156 -0.475 . . . . 41.54 110.273 -176.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.86 -32.02 71.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.374 -0.829 . . . . 57.73 111.014 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -78.42 -43.03 28.38 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 121.831 0.824 . . . . 35.12 111.106 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -82.01 74.57 8.99 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.916 -0.772 . . . . 33.75 108.916 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -59.86 -32.07 70.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.134 0.974 . . . . 38.65 112.15 -169.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -102.97 1.92 34.32 Favored 'General case' 0 C--O 1.199 -1.573 0 CA-C-N 118.15 0.432 . . . . 39.32 110.876 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 28.19 73.52 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 119.523 -0.598 . . . . 35.9 113.319 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.94 0.45 55.87 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.515 0.561 . . . . 34.1 112.515 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.1 13.22 74.88 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 121.884 -0.51 . . . . 31.01 112.551 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -138.13 152.62 48.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.39 -0.596 . . . . 31.39 109.39 174.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.4 mt -110.86 123.77 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 107.021 -1.474 . . . . 26.73 107.021 173.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.9 p -101.49 166.27 10.81 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 107.897 -1.149 . . . . 27.6 107.897 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.67 -42.14 64.47 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.458 -0.792 . . . . 29.84 109.056 170.097 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -72.04 -35.15 69.28 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 109.457 -0.571 . . . . 31.08 109.457 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -66.83 -40.91 88.15 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.102 -0.953 . . . . 27.34 110.941 -174.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.87 -44.0 97.63 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 107.696 -1.224 . . . . 26.69 107.696 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -52.1 35.8 Favored Glycine 0 C--O 1.221 -0.67 0 N-CA-C 111.117 -0.793 . . . . 32.99 111.117 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -54.06 -47.54 71.56 Favored 'General case' 0 C--O 1.251 1.149 0 C-N-CA 123.914 0.885 . . . . 34.29 111.483 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.61 -48.69 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 O-C-N 123.48 0.487 . . . . 37.6 110.172 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.9 mmm -68.01 -32.64 73.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.125 0.57 . . . . 41.31 109.964 -175.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 -72.32 -28.48 63.1 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.992 0.517 . . . . 47.46 110.482 -176.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.6 p -73.26 -24.84 60.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.925 -0.484 . . . . 54.44 110.826 175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -86.33 5.55 34.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.85 0.86 . . . . 54.52 111.703 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 13.02 78.81 Favored Glycine 0 N--CA 1.472 1.098 0 N-CA-C 114.44 0.536 . . . . 53.94 114.44 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -95.16 168.5 10.72 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 118.575 1.188 . . . . 82.13 108.409 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 309' ' ' HOH . 65.2 t30 -142.38 64.87 17.04 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-O 122.736 1.255 . . . . 44.24 109.493 -179.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.74 154.14 68.17 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 O-C-N 119.355 -0.918 . . . . 36.8 110.078 -170.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 p -81.59 170.31 16.0 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 125.065 1.478 . . . . 33.88 109.598 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.85 -35.05 79.88 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 124.377 1.048 . . . . 62.26 109.866 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.74 86.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.546 0.689 . . . . 30.88 111.281 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.345 -0.847 . . . . 42.54 109.208 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.12 -44.62 83.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.08 0.862 . . . . 31.22 110.155 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -59.56 -43.73 93.48 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 118.998 -0.525 . . . . 33.61 110.141 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.71 -40.18 82.97 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.094 0.473 . . . . 35.01 110.402 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 86.1 mtp -71.63 -37.35 70.88 Favored 'General case' 0 C--O 1.203 -1.362 0 C-N-CA 119.032 -1.067 . . . . 40.05 109.018 -175.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.5 mm -66.11 -48.75 80.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 108.23 -1.026 . . . . 29.71 108.23 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -56.98 -36.35 70.23 Favored 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 122.599 0.36 . . . . 30.2 111.522 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.02 -26.36 68.81 Favored 'General case' 0 C--O 1.204 -1.336 0 C-N-CA 123.838 0.855 . . . . 66.08 111.848 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 t -114.36 -7.98 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.801 1.24 . . . . 30.92 109.505 -171.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -81.46 81.62 7.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.4 0.619 . . . . 34.33 110.59 -170.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.66 -41.0 73.01 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.253 0.621 . . . . 39.78 111.925 -174.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -95.43 -1.9 49.99 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.768 0.713 . . . . 43.59 112.191 -172.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.99 19.45 75.42 Favored Glycine 0 C--O 1.2 -2.014 0 CA-C-O 118.371 -1.238 . . . . 39.23 113.994 174.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -82.86 -1.93 53.34 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 119.447 1.624 . . . . 35.57 111.477 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.43 -5.33 70.65 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 124.239 0.923 . . . . 31.64 114.506 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.4 p -134.08 162.83 31.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 117.926 0.863 . . . . 30.74 110.547 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.5 mm -100.61 115.31 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 115.168 -0.924 . . . . 28.15 109.256 -179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -90.68 172.54 8.6 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.047 -0.723 . . . . 38.68 109.047 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -64.77 -42.82 66.47 Favored Pre-proline 0 N--CA 1.43 -1.435 0 O-C-N 121.569 -0.707 . . . . 38.45 110.698 -174.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.15 -43.64 57.08 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 121.633 1.619 . . . . 32.26 114.712 174.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.08 -43.02 95.8 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 121.896 -0.503 . . . . 29.85 110.73 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.36 -43.76 85.1 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.66 0.784 . . . . 30.36 109.772 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.29 -43.7 98.21 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.214 -0.903 . . . . 40.43 109.891 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.1 m -59.56 -50.51 73.62 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.38 -0.97 . . . . 30.96 108.38 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . 0.697 ' SD ' ' CE ' ' A' ' 73' ' ' MET . 11.8 tmm? -57.09 -45.04 83.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.581 -0.281 . . . . 41.76 110.517 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . 0.697 ' CE ' ' SD ' ' A' ' 72' ' ' MET . 31.4 mmt -66.7 -39.75 88.18 Favored 'General case' 0 C--O 1.2 -1.512 0 O-C-N 121.828 -0.545 . . . . 45.7 110.727 -175.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.79 96.92 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 118.707 0.685 . . . . 34.61 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -66.28 -44.45 83.53 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 118.808 0.731 . . . . 76.15 111.153 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -59.03 -46.31 88.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.288 0.635 . . . . 34.45 110.119 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 52.0 ttp -62.13 -42.88 99.68 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 119.288 -0.387 . . . . 58.13 110.961 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -62.42 -41.9 99.04 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 119.486 1.039 . . . . 59.88 110.075 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 -35.25 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.899 0.88 . . . . 58.74 108.834 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 m -67.84 -41.9 82.24 Favored 'General case' 0 C--O 1.249 1.038 0 O-C-N 121.711 -0.618 . . . . 43.97 111.372 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.59 -43.33 99.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.86 -0.792 . . . . 38.07 108.86 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.8 m -62.57 -53.08 60.06 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.192 0.597 . . . . 39.1 111.271 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -46.62 -45.7 19.24 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.158 0.98 . . . . 53.31 109.656 175.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.2 -39.45 75.18 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 121.229 -0.919 . . . . 48.66 110.851 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -60.47 -43.92 96.45 Favored 'General case' 0 N--CA 1.425 -1.707 0 O-C-N 121.521 -0.737 . . . . 59.57 110.008 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.29 -36.91 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.406 -0.808 . . . . 36.8 109.505 -177.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -65.13 -37.6 87.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.724 -0.391 . . . . 35.9 111.246 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.72 -46.02 80.49 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.769 -0.634 . . . . 40.6 110.486 177.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.86 83.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.159 -0.682 . . . . 23.32 109.159 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.36 -45.11 94.66 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 119.605 -0.838 . . . . 25.29 109.058 -177.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -61.67 -36.32 80.51 Favored 'General case' 0 C--O 1.208 -1.089 0 C-N-CA 119.565 -0.854 . . . . 25.56 111.427 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.56 -42.67 92.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 118.375 0.534 . . . . 30.61 110.707 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -69.27 -42.07 76.04 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.675 -0.641 . . . . 37.85 110.928 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.47 71.72 7.32 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 108.743 -0.836 . . . . 29.89 108.743 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -53.77 -44.07 69.73 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.328 1.451 . . . . 57.94 110.698 -172.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -88.58 -2.54 58.65 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-O 118.809 -0.615 . . . . 47.28 111.164 -174.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.28 16.37 78.73 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-N 118.583 0.629 . . . . 41.54 113.731 171.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -81.25 -10.93 59.5 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.125 0.97 . . . . 44.82 112.655 -174.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.32 4.61 56.25 Favored Glycine 0 C--O 1.217 -0.939 0 N-CA-C 110.903 -0.879 . . . . 35.46 110.903 170.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -135.41 141.16 45.41 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 125.215 1.406 . . . . 41.06 108.071 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.6 mt -93.16 122.07 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.129 0 N-CA-C 108.28 -1.007 . . . . 33.95 108.28 168.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.2 p -83.74 163.68 20.06 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.995 0.918 . . . . 42.1 109.335 175.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.72 66.05 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 114.907 -1.042 . . . . 36.15 108.447 171.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.69 79.44 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 115.45 -0.796 . . . . 42.65 110.607 -175.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -75.01 -41.87 58.51 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-O 121.774 0.797 . . . . 39.83 109.172 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.57 -40.26 96.28 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 119.144 -1.022 . . . . 43.21 108.992 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -62.85 -53.82 48.25 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.059 -0.349 . . . . 44.63 110.059 -178.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -42.56 -58.89 2.09 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.406 -0.59 . . . . 47.14 109.406 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.46 -42.76 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.634 -0.712 . . . . 63.76 109.095 -172.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.7 tpt -69.32 -22.41 63.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 111.905 0.335 . . . . 74.28 111.905 -165.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.7 p -75.18 -41.11 58.66 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 121.624 -0.673 . . . . 69.86 109.899 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 124.591 1.156 . . . . 66.47 110.165 -163.842 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.551 -0.907 . . . . 82.85 108.551 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.1 mt -121.09 146.93 46.21 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.719 0.771 . . . . 58.25 110.631 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.3 p -84.68 158.3 20.84 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 114.791 -1.095 . . . . 48.33 109.611 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -49.73 -44.98 48.81 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.259 0.624 . . . . 43.05 110.359 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -58.71 -47.14 85.6 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 126.212 1.805 . . . . 77.28 110.668 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.12 -42.69 96.74 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 123.13 0.572 . . . . 54.69 110.42 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.51 -34.53 29.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 121.851 -0.531 . . . . 56.3 110.266 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -56.04 -38.37 70.47 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.809 -0.812 . . . . 48.32 108.809 173.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.05 -41.2 95.39 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-O 121.264 0.554 . . . . 66.63 109.892 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 80.3 mtp -65.98 -43.26 88.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.598 0.759 . . . . 52.34 109.676 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.8 mm -61.27 -49.64 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.944 -0.761 . . . . 30.77 108.944 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtm-85 -59.5 -39.44 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.157 -0.683 . . . . 34.72 109.157 -173.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -59.89 -39.54 85.69 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 108.439 -0.949 . . . . 45.32 108.439 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.59 -15.73 36.53 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 118.66 -0.686 . . . . 25.64 111.712 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -86.33 76.22 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 124.223 0.952 . . . . 31.26 110.55 -162.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.63 -38.71 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 108.987 -0.745 . . . . 35.34 108.987 -172.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -93.92 -5.28 48.19 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.088 0.403 . . . . 43.83 111.075 -169.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 77.1 16.68 80.46 Favored Glycine 0 C--O 1.212 -1.24 0 CA-C-O 118.787 -1.007 . . . . 43.54 114.679 170.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -84.96 3.43 38.38 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.197 1.499 . . . . 38.0 111.63 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.17 9.17 85.61 Favored Glycine 0 C--O 1.205 -1.696 0 CA-C-O 118.465 -1.186 . . . . 33.44 113.731 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -129.1 166.72 18.73 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 118.329 1.064 . . . . 31.78 108.342 176.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 56.6 t -112.35 120.15 61.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.784 0.802 . . . . 29.36 110.095 -175.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -90.65 179.04 5.91 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 115.482 -0.781 . . . . 29.66 109.403 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.44 -42.29 98.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.427 -0.806 . . . . 38.21 111.825 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -64.11 -43.51 95.11 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.939 -0.763 . . . . 43.72 108.939 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--O 1.262 1.744 0 O-C-N 124.287 0.992 . . . . 31.66 111.617 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.24 -48.03 79.96 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.735 0.647 . . . . 28.18 111.225 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 24.6 t -56.74 -45.13 82.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 109.067 -0.716 . . . . 37.0 109.067 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -57.19 -46.98 82.36 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.909 -0.717 . . . . 60.42 110.006 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.7 tpp -69.54 -37.33 77.04 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.321 0.648 . . . . 60.05 109.877 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' MET . . . . . 0.401 ' O ' ' NZ ' ' B' 1726 ' ' LYS . 32.9 mmt -78.88 -24.04 44.48 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.506 -0.759 . . . . 49.35 111.853 -175.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 28.5 p -113.73 15.93 18.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 118.262 -0.875 . . . . 58.79 111.848 -171.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.407 -0.59 . . . . 63.68 109.407 179.932 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1721 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.594 0 N-CA-C 110.421 -0.214 . . . . 71.73 110.421 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1722 ' ' VAL . . . . . . . . . . . . . 1.8 t -67.67 -29.75 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.402 -0.962 . . . . 63.94 108.402 165.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1723 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.94 -54.22 37.96 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 123.318 0.647 . . . . 74.22 109.288 174.284 179.198 0.0 0.0 0.0 0.0 0.0 0.0 179.198 1 1 . 1 . 001 ecloud orig full ' B' B 1724 ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.65 53.44 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.32 0.648 . . . . 60.2 109.974 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1725 ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.84 -46.67 81.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 N-CA-C 108.148 -1.056 . . . . 55.65 108.148 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1726 ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 146' ' ' MET . 33.2 mttt -58.54 -48.26 81.46 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 109.496 -0.557 . . . . 62.37 109.496 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1727 ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.95 -51.82 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.656 0.383 . . . . 57.04 110.775 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1728 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -35.16 79.46 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.637 -1.225 . . . . 70.59 109.799 -174.588 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1729 ' ' ARG . . . . . 0.632 ' NH1' ' O ' ' B' 1801 ' ' HOH . 25.7 tpt180 -57.03 -48.32 78.8 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 109.011 -0.737 . . . . 48.95 109.011 173.897 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1730 ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.17 65.86 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.812 0.695 . . . . 48.15 111.291 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1731 ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -89.53 -28.44 19.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.339 0.866 . . . . 66.64 113.339 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1732 ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -115.64 7.14 14.69 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 119.195 0.907 . . . . 72.2 111.756 -168.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1733 ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -66.93 160.06 27.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.512 1.125 . . . . 56.01 111.182 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1734 ' ' HIS . . . . . . . . . . . . . 58.5 m170 46.23 70.48 0.38 Allowed 'General case' 0 C--O 1.25 1.093 0 C-N-CA 124.925 1.29 . . . . 65.88 108.73 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1735 ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.817 0 CA-C-N 114.32 -1.309 . . . . 64.23 108.124 173.413 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . 0.481 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1801 ' ' HOH . . . . . 0.632 ' O ' ' NH1' ' B' 1729 ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1802 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 109.252 -0.647 . . . . 80.02 109.252 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -93.25 17.15 11.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.941 0.896 . . . . 87.23 109.334 163.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -88.26 -14.79 37.55 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.73 0.812 . . . . 73.99 109.284 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.89 -38.25 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 N-CA-C 108.459 -0.941 . . . . 62.48 108.459 173.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.13 86.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.442 -0.577 . . . . 51.36 109.442 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.51 -38.06 86.4 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 123.51 0.506 . . . . 81.43 109.701 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -68.44 -31.65 71.1 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.612 -0.233 . . . . 49.81 110.599 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 36.4 mttt -68.64 -38.16 80.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.314 -0.625 . . . . 58.11 109.314 177.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -65.22 -45.21 85.61 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.84 -0.429 . . . . 61.95 109.84 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.73 96.72 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.419 -0.956 . . . . 31.02 108.419 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -56.58 -47.26 79.93 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 109.734 -0.469 . . . . 27.8 109.734 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 p -62.23 -28.11 69.46 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.156 -0.475 . . . . 41.54 110.273 -176.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.86 -32.02 71.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.374 -0.829 . . . . 57.73 111.014 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -78.42 -43.03 28.38 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 121.831 0.824 . . . . 35.12 111.106 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -82.01 74.57 8.99 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.916 -0.772 . . . . 33.75 108.916 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -59.86 -32.07 70.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.134 0.974 . . . . 38.65 112.15 -169.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -102.97 1.92 34.32 Favored 'General case' 0 C--O 1.199 -1.573 0 CA-C-N 118.15 0.432 . . . . 39.32 110.876 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 28.19 73.52 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 119.523 -0.598 . . . . 35.9 113.319 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.94 0.45 55.87 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.515 0.561 . . . . 34.1 112.515 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.1 13.22 74.88 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 121.884 -0.51 . . . . 31.01 112.551 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -138.13 152.62 48.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.39 -0.596 . . . . 31.39 109.39 174.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.4 mt -110.86 123.77 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 107.021 -1.474 . . . . 26.73 107.021 173.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.9 p -101.49 166.27 10.81 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 107.897 -1.149 . . . . 27.6 107.897 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . 0.485 HG22 HG13 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -52.67 -42.14 64.47 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.458 -0.792 . . . . 29.84 109.056 170.097 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -72.04 -35.15 69.28 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 109.457 -0.571 . . . . 36.55 109.457 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -66.83 -40.91 88.15 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.102 -0.953 . . . . 27.34 110.941 -174.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.87 -44.0 97.63 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 107.696 -1.224 . . . . 26.69 107.696 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -52.1 35.8 Favored Glycine 0 C--O 1.221 -0.67 0 N-CA-C 111.117 -0.793 . . . . 32.99 111.117 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -54.06 -47.54 71.56 Favored 'General case' 0 C--O 1.251 1.149 0 C-N-CA 123.914 0.885 . . . . 34.29 111.483 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.61 -48.69 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 O-C-N 123.48 0.487 . . . . 37.6 110.172 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.9 mmm -68.01 -32.64 73.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.125 0.57 . . . . 41.31 109.964 -175.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 42' ' ' GLN . 93.2 mtm-85 -72.32 -28.48 63.1 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.992 0.517 . . . . 47.46 110.482 -176.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.6 p -73.26 -24.84 60.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.925 -0.484 . . . . 54.44 110.826 175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -86.33 5.55 34.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.85 0.86 . . . . 54.52 111.703 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 13.02 78.81 Favored Glycine 0 N--CA 1.472 1.098 0 N-CA-C 114.44 0.536 . . . . 53.94 114.44 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 73.9 mt-30 -95.16 168.5 10.72 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 118.575 1.188 . . . . 82.13 108.409 170.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -142.38 64.87 17.04 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-O 122.736 1.255 . . . . 44.24 109.493 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.74 154.14 68.17 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 O-C-N 119.355 -0.918 . . . . 36.8 110.078 -170.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 p -81.59 170.31 16.0 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 125.065 1.478 . . . . 35.01 109.598 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.85 -35.05 79.88 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 124.377 1.048 . . . . 62.26 109.866 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.74 86.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.546 0.689 . . . . 30.88 111.281 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.345 -0.847 . . . . 42.54 109.208 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.12 -44.62 83.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.08 0.862 . . . . 31.22 110.155 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' OE1' HG21 ' A' ' 30' ' ' THR . 66.3 tp60 -59.56 -43.73 93.48 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 118.998 -0.525 . . . . 33.61 110.141 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.71 -40.18 82.97 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.094 0.473 . . . . 35.01 110.402 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 86.1 mtp -71.63 -37.35 70.88 Favored 'General case' 0 C--O 1.203 -1.362 0 C-N-CA 119.032 -1.067 . . . . 40.05 109.018 -175.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 30' ' ' THR . 28.5 mm -66.11 -48.75 80.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 108.23 -1.026 . . . . 29.71 108.23 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -56.98 -36.35 70.23 Favored 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 122.599 0.36 . . . . 30.2 111.522 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.02 -26.36 68.81 Favored 'General case' 0 C--O 1.204 -1.336 0 C-N-CA 123.838 0.855 . . . . 66.08 111.848 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . 0.694 HG11 ' HG3' ' A' ' 72' ' ' MET . 31.8 t -114.36 -7.98 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.801 1.24 . . . . 30.92 109.505 -171.437 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -81.46 81.62 7.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.4 0.619 . . . . 34.33 110.59 -170.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.66 -41.0 73.01 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.253 0.621 . . . . 39.78 111.925 -174.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -95.43 -1.9 49.99 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.768 0.713 . . . . 43.59 112.191 -172.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.99 19.45 75.42 Favored Glycine 0 C--O 1.2 -2.014 0 CA-C-O 118.371 -1.238 . . . . 39.23 113.994 174.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -82.86 -1.93 53.34 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 119.447 1.624 . . . . 35.57 111.477 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.43 -5.33 70.65 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 124.239 0.923 . . . . 31.64 114.506 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.4 p -134.08 162.83 31.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 117.926 0.863 . . . . 30.74 110.547 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.5 mm -100.61 115.31 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 115.168 -0.924 . . . . 28.15 109.256 -179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -90.68 172.54 8.6 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.047 -0.723 . . . . 38.68 109.047 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 14' ' ' LYS . 40.0 t80 -64.77 -42.82 66.47 Favored Pre-proline 0 N--CA 1.43 -1.435 0 O-C-N 121.569 -0.707 . . . . 38.45 110.698 -174.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.15 -43.64 57.08 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 121.633 1.619 . . . . 32.26 114.712 174.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.08 -43.02 95.8 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 121.896 -0.503 . . . . 29.85 110.73 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.36 -43.76 85.1 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.66 0.784 . . . . 30.36 109.772 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.29 -43.7 98.21 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.214 -0.903 . . . . 40.43 109.891 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.1 m -59.56 -50.51 73.62 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.38 -0.97 . . . . 30.96 108.38 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . 0.876 ' SD ' ' HE2' ' A' ' 73' ' ' MET . 11.8 tmm? -57.09 -45.04 83.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.581 -0.281 . . . . 41.76 110.517 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . 0.876 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 31.4 mmt -66.7 -39.75 88.18 Favored 'General case' 0 C--O 1.2 -1.512 0 O-C-N 121.828 -0.545 . . . . 45.7 110.727 -175.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.79 96.92 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 118.707 0.685 . . . . 34.61 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -66.28 -44.45 83.53 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 118.808 0.731 . . . . 76.15 111.153 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -59.03 -46.31 88.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.288 0.635 . . . . 34.45 110.119 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 52.0 ttp -62.13 -42.88 99.68 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 119.288 -0.387 . . . . 58.13 110.961 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -62.42 -41.9 99.04 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 119.486 1.039 . . . . 59.88 110.075 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 -35.25 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.899 0.88 . . . . 58.74 108.834 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 m -67.84 -41.9 82.24 Favored 'General case' 0 C--O 1.249 1.038 0 O-C-N 121.711 -0.618 . . . . 43.97 111.372 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.59 -43.33 99.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.86 -0.792 . . . . 38.07 108.86 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.8 m -62.57 -53.08 60.06 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.192 0.597 . . . . 39.1 111.271 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -46.62 -45.7 19.24 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.158 0.98 . . . . 53.31 109.656 175.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.2 -39.45 75.18 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 121.229 -0.919 . . . . 48.66 110.851 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -60.47 -43.92 96.45 Favored 'General case' 0 N--CA 1.425 -1.707 0 O-C-N 121.521 -0.737 . . . . 59.57 110.008 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.29 -36.91 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.406 -0.808 . . . . 36.8 109.505 -177.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -65.13 -37.6 87.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.724 -0.391 . . . . 35.9 111.246 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.72 -46.02 80.49 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.769 -0.634 . . . . 40.6 110.486 177.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.86 83.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.159 -0.682 . . . . 23.32 109.159 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.36 -45.11 94.66 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 119.605 -0.838 . . . . 25.29 109.058 -177.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -61.67 -36.32 80.51 Favored 'General case' 0 C--O 1.208 -1.089 0 C-N-CA 119.565 -0.854 . . . . 25.56 111.427 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.56 -42.67 92.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 118.375 0.534 . . . . 30.61 110.707 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -69.27 -42.07 76.04 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.675 -0.641 . . . . 37.85 110.928 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.47 71.72 7.32 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 108.743 -0.836 . . . . 29.89 108.743 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -53.77 -44.07 69.73 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.328 1.451 . . . . 57.94 110.698 -172.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -88.58 -2.54 58.65 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-O 118.809 -0.615 . . . . 47.28 111.164 -174.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.28 16.37 78.73 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-N 118.583 0.629 . . . . 41.54 113.731 171.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -81.25 -10.93 59.5 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.125 0.97 . . . . 44.82 112.655 -174.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.32 4.61 56.25 Favored Glycine 0 C--O 1.217 -0.939 0 N-CA-C 110.903 -0.879 . . . . 35.46 110.903 170.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 136' ' ' GLN . 65.4 m-85 -135.41 141.16 45.41 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 125.215 1.406 . . . . 41.06 108.071 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.6 mt -93.16 122.07 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.129 0 N-CA-C 108.28 -1.007 . . . . 33.95 108.28 168.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.2 p -83.74 163.68 20.06 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.995 0.918 . . . . 42.1 109.335 175.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.72 66.05 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 114.907 -1.042 . . . . 36.15 108.447 171.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.69 79.44 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 115.45 -0.796 . . . . 42.65 110.607 -175.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -75.01 -41.87 58.51 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-O 121.774 0.797 . . . . 39.83 109.172 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . 0.408 HD11 ' HE1' ' A' ' 125' ' ' MET . 18.4 tp -62.57 -40.26 96.28 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 119.144 -1.022 . . . . 43.21 108.992 179.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -62.85 -53.82 48.25 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.059 -0.349 . . . . 44.63 110.059 -178.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -42.56 -58.89 2.09 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.406 -0.59 . . . . 47.14 109.406 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.46 -42.76 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.634 -0.712 . . . . 63.76 109.095 -172.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' MET . . . . . 0.59 ' HG2' HD12 ' A' ' 117' ' ' LEU . 10.7 tpt -69.32 -22.41 63.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 111.905 0.335 . . . . 74.28 111.905 -165.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.7 p -75.18 -41.11 58.66 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 121.624 -0.673 . . . . 69.86 109.899 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 124.591 1.156 . . . . 66.47 110.165 -163.842 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.551 -0.907 . . . . 82.85 108.551 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 110' ' ' MET . 31.1 mt -121.09 146.93 46.21 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.719 0.771 . . . . 58.25 110.631 178.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.3 p -84.68 158.3 20.84 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 114.791 -1.095 . . . . 48.33 109.611 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -49.73 -44.98 48.81 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.259 0.624 . . . . 43.05 110.359 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -58.71 -47.14 85.6 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 126.212 1.805 . . . . 77.28 110.668 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.12 -42.69 96.74 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 123.13 0.572 . . . . 54.69 110.42 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.51 -34.53 29.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 121.851 -0.531 . . . . 56.3 110.266 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -56.04 -38.37 70.47 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.809 -0.812 . . . . 48.32 108.809 173.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.05 -41.2 95.39 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-O 121.264 0.554 . . . . 66.63 109.892 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' MET . . . . . 0.408 ' HE1' HD11 ' A' ' 106' ' ' LEU . 80.3 mtp -65.98 -43.26 88.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.598 0.759 . . . . 52.34 109.676 179.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.8 mm -61.27 -49.64 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.944 -0.761 . . . . 30.77 108.944 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtm-85 -59.5 -39.44 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.157 -0.683 . . . . 34.72 109.157 -173.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -59.89 -39.54 85.69 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 108.439 -0.949 . . . . 45.32 108.439 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.59 -15.73 36.53 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 118.66 -0.686 . . . . 25.64 111.712 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -86.33 76.22 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 124.223 0.952 . . . . 31.26 110.55 -162.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.63 -38.71 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 108.987 -0.745 . . . . 35.34 108.987 -172.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -93.92 -5.28 48.19 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.088 0.403 . . . . 43.83 111.075 -169.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 77.1 16.68 80.46 Favored Glycine 0 C--O 1.212 -1.24 0 CA-C-O 118.787 -1.007 . . . . 43.54 114.679 170.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -84.96 3.43 38.38 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.197 1.499 . . . . 38.0 111.63 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.17 9.17 85.61 Favored Glycine 0 C--O 1.205 -1.696 0 CA-C-O 118.465 -1.186 . . . . 33.44 113.731 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HB3' ' HB3' ' A' ' 100' ' ' TYR . 8.2 pt20 -129.1 166.72 18.73 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 118.329 1.064 . . . . 37.11 108.342 176.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 56.6 t -112.35 120.15 61.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.784 0.802 . . . . 29.36 110.095 -175.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -90.65 179.04 5.91 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 115.482 -0.781 . . . . 29.66 109.403 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.44 -42.29 98.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.427 -0.806 . . . . 38.21 111.825 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -64.11 -43.51 95.11 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.939 -0.763 . . . . 43.72 108.939 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--O 1.262 1.744 0 O-C-N 124.287 0.992 . . . . 31.66 111.617 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.24 -48.03 79.96 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.735 0.647 . . . . 28.18 111.225 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 24.6 t -56.74 -45.13 82.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 109.067 -0.716 . . . . 37.0 109.067 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -57.19 -46.98 82.36 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.909 -0.717 . . . . 60.42 110.006 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.7 tpp -69.54 -37.33 77.04 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.321 0.648 . . . . 60.05 109.877 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 32.9 mmt -78.88 -24.04 44.48 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.506 -0.759 . . . . 49.35 111.853 -175.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 28.5 p -113.73 15.93 18.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 118.262 -0.875 . . . . 58.79 111.848 -171.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.407 -0.59 . . . . 63.68 109.407 179.932 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1721 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.594 0 N-CA-C 110.421 -0.214 . . . . 71.73 110.421 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1722 ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 335' ' ' HOH . 1.8 t -67.67 -29.75 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.402 -0.962 . . . . 63.94 108.402 165.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1723 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.94 -54.22 37.96 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 123.318 0.647 . . . . 74.22 109.288 174.284 179.198 0.0 0.0 0.0 0.0 0.0 0.0 179.198 1 1 . 1 . 001 ecloud build full ' B' B 1724 ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.65 53.44 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.32 0.648 . . . . 60.2 109.974 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1725 ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.84 -46.67 81.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 N-CA-C 108.148 -1.056 . . . . 55.65 108.148 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1726 ' ' LYS . . . . . . . . . . . . . 33.2 mttt -58.54 -48.26 81.46 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 109.496 -0.557 . . . . 62.37 109.496 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1727 ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.95 -51.82 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.656 0.383 . . . . 57.04 110.775 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1728 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -35.16 79.46 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.637 -1.225 . . . . 70.59 109.799 -174.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1729 ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -57.03 -48.32 78.8 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 109.011 -0.737 . . . . 48.95 109.011 173.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1730 ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.17 65.86 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.812 0.695 . . . . 48.15 111.291 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1731 ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -89.53 -28.44 19.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.339 0.866 . . . . 66.64 113.339 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1732 ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -115.64 7.14 14.69 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 119.195 0.907 . . . . 72.2 111.756 -168.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1733 ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -66.93 160.06 27.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.512 1.125 . . . . 56.01 111.182 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1734 ' ' HIS . . . . . . . . . . . . . 58.5 m170 46.23 70.48 0.38 Allowed 'General case' 0 C--O 1.25 1.093 0 C-N-CA 124.925 1.29 . . . . 65.88 108.73 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1735 ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.817 0 CA-C-N 114.32 -1.309 . . . . 64.23 108.124 173.413 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . 0.49 ' O ' HG11 ' B' 1722 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1801 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1802 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 109.252 -0.647 . . . . 80.02 109.252 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -93.25 17.15 11.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.941 0.896 . . . . 87.23 109.334 163.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -88.26 -14.79 37.55 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.73 0.812 . . . . 73.99 109.284 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.89 -38.25 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 N-CA-C 108.459 -0.941 . . . . 62.48 108.459 173.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -46.13 86.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.442 -0.577 . . . . 51.36 109.442 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.51 -38.06 86.4 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 123.51 0.506 . . . . 81.43 109.701 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -68.44 -31.65 71.1 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.612 -0.233 . . . . 49.81 110.599 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 36.4 mttt -68.64 -38.16 80.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.314 -0.625 . . . . 58.11 109.314 177.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -65.22 -45.21 85.61 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 109.84 -0.429 . . . . 61.95 109.84 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.73 96.72 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.419 -0.956 . . . . 31.02 108.419 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -56.58 -47.26 79.93 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 109.734 -0.469 . . . . 27.8 109.734 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.2 p -62.23 -28.11 69.46 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.156 -0.475 . . . . 41.54 110.273 -176.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.86 -32.02 71.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.374 -0.829 . . . . 57.73 111.014 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -78.42 -43.03 28.38 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 121.831 0.824 . . . . 35.12 111.106 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -82.01 74.57 8.99 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.916 -0.772 . . . . 33.75 108.916 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -59.86 -32.07 70.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.134 0.974 . . . . 38.65 112.15 -169.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -102.97 1.92 34.32 Favored 'General case' 0 C--O 1.199 -1.573 0 CA-C-N 118.15 0.432 . . . . 39.32 110.876 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 28.19 73.52 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 119.523 -0.598 . . . . 35.9 113.319 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.94 0.45 55.87 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.515 0.561 . . . . 34.1 112.515 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.1 13.22 74.88 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 121.884 -0.51 . . . . 31.01 112.551 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -138.13 152.62 48.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.39 -0.596 . . . . 31.39 109.39 174.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.4 mt -110.86 123.77 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 107.021 -1.474 . . . . 26.73 107.021 173.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.9 p -101.49 166.27 10.81 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 107.897 -1.149 . . . . 27.6 107.897 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . 0.485 HG22 HG13 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -52.67 -42.14 64.47 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.458 -0.792 . . . . 29.84 109.056 170.097 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -72.04 -35.15 69.28 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 109.457 -0.571 . . . . 36.55 109.457 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -66.83 -40.91 88.15 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.102 -0.953 . . . . 27.34 110.941 -174.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.87 -44.0 97.63 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 107.696 -1.224 . . . . 26.69 107.696 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -52.1 35.8 Favored Glycine 0 C--O 1.221 -0.67 0 N-CA-C 111.117 -0.793 . . . . 32.99 111.117 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -54.06 -47.54 71.56 Favored 'General case' 0 C--O 1.251 1.149 0 C-N-CA 123.914 0.885 . . . . 34.29 111.483 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.61 -48.69 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 O-C-N 123.48 0.487 . . . . 37.6 110.172 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.9 mmm -68.01 -32.64 73.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.125 0.57 . . . . 41.31 109.964 -175.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 42' ' ' GLN . 93.2 mtm-85 -72.32 -28.48 63.1 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.992 0.517 . . . . 47.46 110.482 -176.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.6 p -73.26 -24.84 60.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.925 -0.484 . . . . 54.44 110.826 175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -86.33 5.55 34.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.85 0.86 . . . . 54.52 111.703 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 13.02 78.81 Favored Glycine 0 N--CA 1.472 1.098 0 N-CA-C 114.44 0.536 . . . . 53.94 114.44 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 32.2 mt-30 -95.16 168.5 10.72 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 118.575 1.188 . . . . 82.13 108.409 170.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -142.38 64.87 17.04 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-O 122.736 1.255 . . . . 44.24 109.493 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.74 154.14 68.17 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 O-C-N 119.355 -0.918 . . . . 36.8 110.078 -170.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 p -81.59 170.31 16.0 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 125.065 1.478 . . . . 35.01 109.598 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.85 -35.05 79.88 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 124.377 1.048 . . . . 62.26 109.866 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.74 86.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.546 0.689 . . . . 30.88 111.281 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.345 -0.847 . . . . 42.54 109.208 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.12 -44.62 83.74 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.08 0.862 . . . . 31.22 110.155 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' OE1' HG21 ' A' ' 30' ' ' THR . 66.3 tp60 -59.56 -43.73 93.48 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 118.998 -0.525 . . . . 33.61 110.141 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.71 -40.18 82.97 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.094 0.473 . . . . 35.01 110.402 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 86.1 mtp -71.63 -37.35 70.88 Favored 'General case' 0 C--O 1.203 -1.362 0 C-N-CA 119.032 -1.067 . . . . 40.05 109.018 -175.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 30' ' ' THR . 28.5 mm -66.11 -48.75 80.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 108.23 -1.026 . . . . 29.71 108.23 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -56.98 -36.35 70.23 Favored 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 122.599 0.36 . . . . 30.2 111.522 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.02 -26.36 68.81 Favored 'General case' 0 C--O 1.204 -1.336 0 C-N-CA 123.838 0.855 . . . . 66.08 111.848 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.694 HG11 ' HG3' ' A' ' 72' ' ' MET . 31.8 t -114.36 -7.98 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.801 1.24 . . . . 30.92 109.505 -171.437 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -81.46 81.62 7.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.4 0.619 . . . . 34.33 110.59 -170.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.66 -41.0 73.01 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.253 0.621 . . . . 39.78 111.925 -174.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -95.43 -1.9 49.99 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.768 0.713 . . . . 43.59 112.191 -172.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.99 19.45 75.42 Favored Glycine 0 C--O 1.2 -2.014 0 CA-C-O 118.371 -1.238 . . . . 39.23 113.994 174.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -82.86 -1.93 53.34 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 119.447 1.624 . . . . 35.57 111.477 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.43 -5.33 70.65 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 124.239 0.923 . . . . 31.64 114.506 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.4 p -134.08 162.83 31.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 117.926 0.863 . . . . 30.74 110.547 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.5 mm -100.61 115.31 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 115.168 -0.924 . . . . 28.15 109.256 -179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -90.68 172.54 8.6 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.047 -0.723 . . . . 38.68 109.047 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 14' ' ' LYS . 40.0 t80 -64.77 -42.82 66.47 Favored Pre-proline 0 N--CA 1.43 -1.435 0 O-C-N 121.569 -0.707 . . . . 38.45 110.698 -174.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.15 -43.64 57.08 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 121.633 1.619 . . . . 32.26 114.712 174.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.08 -43.02 95.8 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 121.896 -0.503 . . . . 29.85 110.73 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -66.36 -43.76 85.1 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.66 0.784 . . . . 30.36 109.772 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.29 -43.7 98.21 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.214 -0.903 . . . . 40.43 109.891 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.1 m -59.56 -50.51 73.62 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.38 -0.97 . . . . 30.96 108.38 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . 0.876 ' SD ' ' HE2' ' A' ' 73' ' ' MET . 11.8 tmm? -57.09 -45.04 83.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.581 -0.281 . . . . 41.76 110.517 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . 0.876 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 31.4 mmt -66.7 -39.75 88.18 Favored 'General case' 0 C--O 1.2 -1.512 0 O-C-N 121.828 -0.545 . . . . 45.7 110.727 -175.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.79 96.92 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 118.707 0.685 . . . . 34.61 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -66.28 -44.45 83.53 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 118.808 0.731 . . . . 76.15 111.153 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -59.03 -46.31 88.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.288 0.635 . . . . 34.45 110.119 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 52.0 ttp -62.13 -42.88 99.68 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 119.288 -0.387 . . . . 58.13 110.961 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -62.42 -41.9 99.04 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 119.486 1.039 . . . . 59.88 110.075 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 -35.25 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.899 0.88 . . . . 58.74 108.834 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 m -67.84 -41.9 82.24 Favored 'General case' 0 C--O 1.249 1.038 0 O-C-N 121.711 -0.618 . . . . 43.97 111.372 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.59 -43.33 99.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.86 -0.792 . . . . 38.07 108.86 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.8 m -62.57 -53.08 60.06 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.192 0.597 . . . . 39.1 111.271 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -46.62 -45.7 19.24 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.158 0.98 . . . . 53.31 109.656 175.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.2 -39.45 75.18 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 121.229 -0.919 . . . . 48.66 110.851 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -60.47 -43.92 96.45 Favored 'General case' 0 N--CA 1.425 -1.707 0 O-C-N 121.521 -0.737 . . . . 59.57 110.008 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.29 -36.91 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.406 -0.808 . . . . 36.8 109.505 -177.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -65.13 -37.6 87.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.724 -0.391 . . . . 35.9 111.246 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.72 -46.02 80.49 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.769 -0.634 . . . . 40.6 110.486 177.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.86 83.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.159 -0.682 . . . . 23.32 109.159 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.36 -45.11 94.66 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 119.605 -0.838 . . . . 25.29 109.058 -177.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -61.67 -36.32 80.51 Favored 'General case' 0 C--O 1.208 -1.089 0 C-N-CA 119.565 -0.854 . . . . 25.56 111.427 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.56 -42.67 92.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 118.375 0.534 . . . . 30.61 110.707 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -69.27 -42.07 76.04 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.675 -0.641 . . . . 37.85 110.928 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.47 71.72 7.32 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 108.743 -0.836 . . . . 29.89 108.743 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -53.77 -44.07 69.73 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.328 1.451 . . . . 57.94 110.698 -172.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -88.58 -2.54 58.65 Favored 'General case' 0 C--O 1.211 -0.921 0 CA-C-O 118.809 -0.615 . . . . 47.28 111.164 -174.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.28 16.37 78.73 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-N 118.583 0.629 . . . . 41.54 113.731 171.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -81.25 -10.93 59.5 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.125 0.97 . . . . 44.82 112.655 -174.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.32 4.61 56.25 Favored Glycine 0 C--O 1.217 -0.939 0 N-CA-C 110.903 -0.879 . . . . 35.46 110.903 170.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 136' ' ' GLN . 65.4 m-85 -135.41 141.16 45.41 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 125.215 1.406 . . . . 41.06 108.071 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.6 mt -93.16 122.07 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.129 0 N-CA-C 108.28 -1.007 . . . . 33.95 108.28 168.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.2 p -83.74 163.68 20.06 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.995 0.918 . . . . 42.1 109.335 175.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.72 66.05 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 114.907 -1.042 . . . . 36.15 108.447 171.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.69 79.44 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 115.45 -0.796 . . . . 42.65 110.607 -175.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -75.01 -41.87 58.51 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-O 121.774 0.797 . . . . 39.83 109.172 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.408 HD11 ' HE1' ' A' ' 125' ' ' MET . 18.4 tp -62.57 -40.26 96.28 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 119.144 -1.022 . . . . 43.21 108.992 179.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -62.85 -53.82 48.25 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.059 -0.349 . . . . 44.63 110.059 -178.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -42.56 -58.89 2.09 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.406 -0.59 . . . . 47.14 109.406 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.8 t -64.46 -42.76 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.634 -0.712 . . . . 63.76 109.095 -172.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' MET . . . . . 0.59 ' HG2' HD12 ' A' ' 117' ' ' LEU . 10.7 tpt -69.32 -22.41 63.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 111.905 0.335 . . . . 74.28 111.905 -165.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.7 p -75.18 -41.11 58.66 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 121.624 -0.673 . . . . 69.86 109.899 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.481 1.083 0 C-N-CA 124.591 1.156 . . . . 66.47 110.165 -163.842 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.551 -0.907 . . . . 82.85 108.551 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 110' ' ' MET . 31.1 mt -121.09 146.93 46.21 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.719 0.771 . . . . 58.25 110.631 178.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.3 p -84.68 158.3 20.84 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 114.791 -1.095 . . . . 48.33 109.611 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -49.73 -44.98 48.81 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.259 0.624 . . . . 43.05 110.359 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -58.71 -47.14 85.6 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 126.212 1.805 . . . . 77.28 110.668 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.12 -42.69 96.74 Favored 'General case' 0 C--O 1.198 -1.628 0 C-N-CA 123.13 0.572 . . . . 54.69 110.42 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.51 -34.53 29.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 121.851 -0.531 . . . . 56.3 110.266 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -56.04 -38.37 70.47 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.809 -0.812 . . . . 48.32 108.809 173.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.05 -41.2 95.39 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-O 121.264 0.554 . . . . 66.63 109.892 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' MET . . . . . 0.408 ' HE1' HD11 ' A' ' 106' ' ' LEU . 80.3 mtp -65.98 -43.26 88.36 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.598 0.759 . . . . 52.34 109.676 179.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.8 mm -61.27 -49.64 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.944 -0.761 . . . . 30.77 108.944 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtm-85 -59.5 -39.44 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 109.157 -0.683 . . . . 34.72 109.157 -173.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -59.89 -39.54 85.69 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 108.439 -0.949 . . . . 45.32 108.439 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.59 -15.73 36.53 Favored 'General case' 0 C--O 1.25 1.095 0 CA-C-O 118.66 -0.686 . . . . 25.64 111.712 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -86.33 76.22 9.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 124.223 0.952 . . . . 31.26 110.55 -162.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.63 -38.71 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 108.987 -0.745 . . . . 35.34 108.987 -172.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -93.92 -5.28 48.19 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.088 0.403 . . . . 43.83 111.075 -169.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 77.1 16.68 80.46 Favored Glycine 0 C--O 1.212 -1.24 0 CA-C-O 118.787 -1.007 . . . . 43.54 114.679 170.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -84.96 3.43 38.38 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.197 1.499 . . . . 38.0 111.63 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.17 9.17 85.61 Favored Glycine 0 C--O 1.205 -1.696 0 CA-C-O 118.465 -1.186 . . . . 33.44 113.731 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HB3' ' HB3' ' A' ' 100' ' ' TYR . 8.2 pt20 -129.1 166.72 18.73 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 118.329 1.064 . . . . 37.11 108.342 176.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 56.6 t -112.35 120.15 61.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.784 0.802 . . . . 29.36 110.095 -175.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -90.65 179.04 5.91 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 115.482 -0.781 . . . . 29.66 109.403 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.44 -42.29 98.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.427 -0.806 . . . . 38.21 111.825 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -64.11 -43.51 95.11 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.939 -0.763 . . . . 43.72 108.939 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -64.8 -38.34 90.67 Favored 'General case' 0 C--O 1.262 1.744 0 O-C-N 124.287 0.992 . . . . 31.66 111.617 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.24 -48.03 79.96 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.735 0.647 . . . . 28.18 111.225 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 24.6 t -56.74 -45.13 82.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 109.067 -0.716 . . . . 37.0 109.067 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -57.19 -46.98 82.36 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.909 -0.717 . . . . 60.42 110.006 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.7 tpp -69.54 -37.33 77.04 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.321 0.648 . . . . 60.05 109.877 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 32.9 mmt -78.88 -24.04 44.48 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.506 -0.759 . . . . 49.35 111.853 -175.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 28.5 p -113.73 15.93 18.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 118.262 -0.875 . . . . 58.79 111.848 -171.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.407 -0.59 . . . . 63.68 109.407 179.932 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1721 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.594 0 N-CA-C 110.421 -0.214 . . . . 71.73 110.421 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1722 ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 335' ' ' HOH . 1.8 t -67.67 -29.75 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.402 -0.962 . . . . 63.94 108.402 165.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1723 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.94 -54.22 37.96 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 123.318 0.647 . . . . 74.22 109.288 174.284 179.198 0.0 0.0 0.0 0.0 0.0 0.0 179.198 1 1 . 1 . 001 ecloud nobuild full ' B' B 1724 ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.65 53.44 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.32 0.648 . . . . 60.2 109.974 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1725 ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.84 -46.67 81.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 N-CA-C 108.148 -1.056 . . . . 55.65 108.148 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1726 ' ' LYS . . . . . . . . . . . . . 33.2 mttt -58.54 -48.26 81.46 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 109.496 -0.557 . . . . 62.37 109.496 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1727 ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.95 -51.82 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.656 0.383 . . . . 57.04 110.775 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1728 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -35.16 79.46 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.637 -1.225 . . . . 70.59 109.799 -174.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1729 ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -57.03 -48.32 78.8 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 109.011 -0.737 . . . . 48.95 109.011 173.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1730 ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.17 65.86 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.812 0.695 . . . . 48.15 111.291 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1731 ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -89.53 -28.44 19.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.339 0.866 . . . . 66.64 113.339 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1732 ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -115.64 7.14 14.69 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 119.195 0.907 . . . . 72.2 111.756 -168.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1733 ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -66.93 160.06 27.1 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.512 1.125 . . . . 56.01 111.182 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1734 ' ' HIS . . . . . . . . . . . . . 58.5 m170 46.23 70.48 0.38 Allowed 'General case' 0 C--O 1.25 1.093 0 C-N-CA 124.925 1.29 . . . . 65.88 108.73 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1735 ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.817 0 CA-C-N 114.32 -1.309 . . . . 64.23 108.124 173.413 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . 0.49 ' O ' HG11 ' B' 1722 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1801 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1802 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_