data_6mi4_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 6mi4 _Structure_validation_residue.Date_analyzed 2019-08-02 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 ' 20' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.811 0.339 . . . . 89.21 111.417 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -107.46 146.11 32.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.175 0.512 . . . . 68.46 110.367 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.5 p -82.8 173.45 11.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 122.037 0.923 . . . . 54.12 110.721 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.06 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.272 -0.876 . . . . 48.2 110.534 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' NZ ' ' OD2' ' A' ' 28' ' ' ASP . 16.9 tttm -68.8 -34.11 74.98 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.837 -0.54 . . . . 58.64 111.85 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.02 -39.83 79.03 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.361 -0.536 . . . . 64.52 111.192 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.42 -30.62 69.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.346 -0.542 . . . . 60.45 111.633 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -73.31 -40.66 64.32 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.239 -0.584 . . . . 78.93 111.12 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' OD2' ' NZ ' ' A' ' 24' ' ' LYS . 71.2 m-20 -63.76 -41.17 98.05 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.605 -0.438 . . . . 60.41 111.398 176.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -65.02 -38.54 91.26 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.067 -0.653 . . . . 50.99 110.766 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . 0.538 ' OD1' ' ND2' ' B' ' 30' ' ' ASN . 0.7 OUTLIER -59.35 -44.43 92.68 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.816 -0.353 . . . . 78.46 110.964 174.369 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.74 -37.8 85.57 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.897 -0.321 . . . . 78.73 111.093 176.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.17 -45.4 81.02 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.288 -0.257 . . . . 84.19 111.32 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.69 -32.57 74.19 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.608 -0.437 . . . . 44.59 111.844 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.33 -39.72 81.84 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.329 -0.549 . . . . 39.83 111.135 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -66.73 -27.97 68.05 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.337 -0.545 . . . . 55.34 111.288 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -74.89 -33.1 62.0 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.707 0.262 . . . . 100.87 111.707 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -69.38 -38.3 77.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.953 0.406 . . . . 48.68 110.237 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.49 91.35 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 122.129 -0.357 . . . . 50.66 111.341 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -66.8 -46.05 76.43 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 121.984 -0.448 . . . . 72.55 111.165 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.21 -31.46 72.62 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.614 -0.434 . . . . 44.35 111.755 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.13 -31.11 64.09 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.23 -0.588 . . . . 64.04 111.428 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -70.86 -29.15 65.18 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.24 -0.584 . . . . 74.46 111.459 173.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -69.17 -42.94 75.2 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.671 -0.412 . . . . 106.1 111.265 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.67 -43.03 98.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.025 0.44 . . . . 47.13 110.435 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.67 68.2 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.885 -0.509 . . . . 46.35 111.732 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -73.35 -41.34 63.55 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.28 -0.568 . . . . 72.1 111.06 176.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.4 -24.18 62.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.401 0.519 . . . . 58.84 112.401 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -77.27 -32.9 55.85 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.488 -0.485 . . . . 93.75 111.636 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -68.92 -37.93 79.24 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.536 -0.466 . . . . 86.35 110.785 174.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.1 mt -66.89 -46.59 74.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.733 0.302 . . . . 55.01 111.228 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.81 -32.68 74.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.604 -0.438 . . . . 63.86 111.804 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -71.87 -34.57 69.3 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.837 -0.745 . . . . 94.76 111.416 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.7 mtm-85 -72.29 -38.08 68.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.394 -0.522 . . . . 76.58 111.177 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.92 -37.1 78.72 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.538 -0.465 . . . . 90.75 111.1 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -67.62 -35.54 79.12 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.954 -0.699 . . . . 68.87 111.273 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.01 74.34 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.422 -0.511 . . . . 60.64 110.903 175.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.73 80.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.317 -0.553 . . . . 52.94 111.155 176.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.97 -31.85 73.29 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.537 0.199 . . . . 84.06 111.537 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' OE1' ' NH1' ' A' ' 62' ' ' ARG . 37.4 tp60 -71.69 -37.16 70.75 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.558 -0.457 . . . . 102.79 111.53 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -67.91 -35.81 79.11 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.454 -0.498 . . . . 99.69 111.318 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.73 -35.43 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.245 -0.582 . . . . 76.65 111.065 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . 0.507 ' NH1' ' OE1' ' A' ' 59' ' ' GLN . 14.9 mtp-105 -76.36 -29.89 57.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.293 0.479 . . . . 93.52 112.293 -179.442 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.37 -32.92 62.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.37 -0.532 . . . . 93.75 111.603 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.37 -32.45 43.11 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.088 0.403 . . . . 66.99 112.088 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MSE . . . . . . . . . . . . . 20.5 ttt -71.5 -33.31 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.793 -0.447 . . . . 152.74 109.793 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.4 ttm105 -63.44 -38.12 89.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.904 -0.589 . . . . 101.48 111.177 175.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -37.65 72.68 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.446 -0.502 . . . . 107.84 111.192 179.897 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -60.23 -45.14 94.26 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 122.13 -0.357 . . . . 86.36 111.059 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.56 -31.42 70.62 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.611 -0.436 . . . . 97.65 111.378 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -75.42 -38.31 59.91 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.807 0.299 . . . . 114.48 111.807 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.75 -37.75 70.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.198 -0.601 . . . . 85.97 110.34 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.21 -29.99 70.84 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.943 -0.473 . . . . 71.73 111.666 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -79.53 -37.27 36.94 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.518 -0.473 . . . . 118.42 111.101 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -43.84 94.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.775 -0.37 . . . . 112.73 111.249 177.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -70.93 -25.29 62.68 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.249 -0.58 . . . . 99.31 112.287 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.17 -27.51 48.05 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.512 0.56 . . . . 85.58 112.512 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -34.17 27.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 112.002 0.371 . . . . 110.68 112.002 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.21 -22.45 55.24 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.111 0.412 . . . . 95.53 112.111 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -30.5 60.13 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.528 -0.469 . . . . 79.44 111.646 174.371 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.69 -36.66 76.17 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.192 -0.603 . . . . 78.68 111.139 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -77.67 -24.74 49.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.26 -0.576 . . . . 79.61 112.046 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -74.1 -40.22 62.85 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.421 -0.511 . . . . 72.69 110.945 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.83 -35.86 82.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.453 -0.499 . . . . 101.23 111.08 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -31.53 71.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.489 -0.484 . . . . 73.12 111.419 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.7 m -76.3 -36.67 58.23 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.593 -0.443 . . . . 71.13 111.399 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -63.21 -36.09 82.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.15 -0.62 . . . . 89.65 110.975 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . 0.628 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 73.3 ttt-85 -68.23 -31.06 70.29 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.488 -0.485 . . . . 98.68 111.21 175.835 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -75.92 -32.71 59.73 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.155 -0.618 . . . . 125.12 111.149 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.0 -32.3 45.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.577 0.584 . . . . 126.46 112.577 176.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.95 -31.47 64.6 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.543 -0.463 . . . . 68.5 111.64 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . 0.628 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 92.9 mt-10 -71.33 -34.74 70.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.532 0.206 . . . . 124.16 111.187 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -82.13 -34.31 29.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.728 -0.215 . . . . 76.86 111.515 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 tp -73.78 -34.54 64.7 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.008 -0.677 . . . . 65.87 111.079 174.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' MSE . . . . . . . . . . . . . 15.0 tpt -63.52 -43.02 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.342 -0.224 . . . . 125.81 111.251 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.9 p -70.53 -24.18 62.77 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.582 -0.847 . . . . 62.74 111.535 -177.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -74.95 -33.13 61.89 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.811 -0.177 . . . . 104.65 111.113 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -73.7 -36.0 65.21 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.469 -0.493 . . . . 76.43 111.126 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.48 -37.38 74.24 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.25 -0.58 . . . . 84.77 111.447 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.85 -34.85 78.71 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.163 -0.615 . . . . 102.11 111.032 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.05 -43.15 62.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.758 -0.377 . . . . 55.53 111.469 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -61.22 -45.17 95.68 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.405 -0.518 . . . . 107.36 111.314 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.08 -34.87 74.03 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.327 -0.549 . . . . 78.09 111.416 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.28 -29.68 68.52 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.589 -0.445 . . . . 68.42 111.289 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.29 -42.64 81.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.523 -0.471 . . . . 58.49 110.212 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.8 -34.98 79.41 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.101 -0.64 . . . . 93.48 111.307 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -73.9 -43.37 58.68 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.185 -0.606 . . . . 105.25 111.396 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.66 -35.28 80.04 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.37 -0.532 . . . . 58.24 111.483 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.75 -38.53 66.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.164 -1.017 . . . . 62.3 113.065 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -72.27 -38.9 68.71 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 122.249 -0.56 . . . . 61.78 111.536 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -66.4 -27.8 68.14 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.078 -0.649 . . . . 94.9 110.909 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -72.96 -36.9 67.23 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.737 -0.385 . . . . 85.27 111.096 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.7 -34.77 69.89 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.434 -0.506 . . . . 59.17 111.102 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.19 -26.67 61.25 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.921 -0.712 . . . . 94.87 111.395 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.15 -33.84 59.38 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 111.969 0.359 . . . . 61.47 111.969 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.26 -31.44 62.56 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.483 -0.487 . . . . 81.69 111.706 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -69.53 -38.58 77.57 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.376 -0.529 . . . . 95.16 110.96 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -67.29 -37.4 83.34 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 121.078 -0.249 . . . . 71.65 111.492 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -69.1 -33.76 74.01 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.892 0.331 . . . . 63.1 111.892 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.82 -30.68 61.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.395 -0.522 . . . . 108.94 111.355 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -68.14 -35.53 78.25 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.247 -0.581 . . . . 89.94 110.829 172.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.4 -36.51 79.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.508 -0.477 . . . . 68.8 110.948 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.46 -32.9 74.56 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.255 -0.578 . . . . 71.37 111.232 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 m -66.57 -34.51 78.07 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.472 -0.491 . . . . 67.91 111.458 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -70.85 -38.93 73.2 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.227 -0.589 . . . . 88.8 110.827 175.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mt -65.33 -43.73 94.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.656 -0.417 . . . . 63.44 110.294 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.01 73.39 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.453 -0.499 . . . . 59.07 111.334 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -73.62 -41.24 63.06 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.47 -0.492 . . . . 67.79 110.869 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.14 -34.22 77.88 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.502 -0.479 . . . . 51.81 111.756 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -70.11 -38.84 75.7 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.239 -0.584 . . . . 75.06 111.465 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.84 -38.01 89.53 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.234 -0.586 . . . . 75.02 111.086 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.75 -35.3 78.48 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.602 -0.439 . . . . 67.21 111.206 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.87 -44.62 92.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.77 -0.372 . . . . 67.85 110.655 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.51 93.74 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.945 -0.472 . . . . 63.13 111.47 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -63.33 -39.65 95.13 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.521 -0.472 . . . . 64.59 111.278 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.03 -26.71 60.57 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.115 -0.634 . . . . 55.06 111.783 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -75.77 -29.53 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.486 -0.886 . . . . 85.27 112.061 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -69.34 -25.95 64.46 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.044 -1.062 . . . . 86.35 110.621 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.88 -33.57 68.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 111.809 0.3 . . . . 83.93 111.809 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.4 -8.8 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.055 -0.658 . . . . 85.97 112.512 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -97.0 46.37 1.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 109.509 -1.437 . . . . 99.43 109.509 175.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -154.14 -58.86 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.033 0.933 . . . . 97.32 108.987 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 123.784 0.833 . . . . 93.65 112.687 174.984 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.143 0.301 . . . . 59.85 112.962 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -72.55 -44.91 61.48 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.764 0.316 . . . . 72.5 111.411 -176.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -105.5 147.73 28.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 67.51 111.919 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 89.2 p -82.61 174.08 11.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.173 -0.921 . . . . 56.73 110.793 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.46 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 115.264 -0.88 . . . . 48.17 110.67 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -69.37 -34.0 73.9 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.123 -0.631 . . . . 98.54 111.876 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -69.92 -40.45 75.54 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.123 -0.631 . . . . 57.89 111.222 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 43.3 mt -68.32 -30.99 70.09 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.781 -0.367 . . . . 40.92 111.9 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -73.52 -41.59 62.85 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.883 -0.727 . . . . 76.43 111.238 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.11 -39.17 93.9 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.238 -0.585 . . . . 64.27 110.958 176.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . 0.453 ' NZ ' ' OE1' ' B' ' 32' ' ' GLU . 16.7 tppt? -65.04 -37.36 87.35 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.793 -0.363 . . . . 50.1 111.081 175.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' OD1' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -59.45 -44.91 92.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.722 0.296 . . . . 65.42 111.294 176.229 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.2 -35.81 79.99 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.59 -0.444 . . . . 98.22 111.059 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . 0.453 ' OE1' ' NZ ' ' B' ' 29' ' ' LYS . 17.3 tt0 -64.58 -44.86 89.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.783 0.325 . . . . 91.15 111.116 -179.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.6 -32.8 74.36 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.335 -0.546 . . . . 42.5 111.556 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.05 -39.45 79.16 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.766 -0.373 . . . . 42.15 111.558 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -65.31 -27.97 68.98 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.01 -0.676 . . . . 45.07 111.779 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -75.4 -32.58 60.81 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.484 -0.486 . . . . 92.43 111.454 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.6 mt -68.73 -37.74 77.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 120.938 0.399 . . . . 55.13 110.278 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.11 82.46 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.883 -0.511 . . . . 55.57 111.049 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.77 -45.6 70.96 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.562 -0.455 . . . . 70.37 110.973 176.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.87 -31.04 72.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.507 -0.477 . . . . 53.85 111.652 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -72.32 -32.91 66.96 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.939 -0.704 . . . . 62.35 111.516 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.75 -30.39 66.89 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.086 -0.645 . . . . 47.28 111.441 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -70.99 -42.58 69.45 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.626 -0.43 . . . . 85.92 111.109 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.84 -43.47 98.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.015 0.436 . . . . 44.1 110.528 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.36 67.81 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.094 -0.642 . . . . 50.8 111.236 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -73.22 -40.66 64.53 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.281 -0.568 . . . . 56.09 111.107 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.45 -23.89 61.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.403 0.52 . . . . 46.81 112.403 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.9 -33.8 59.94 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.308 -0.557 . . . . 78.07 111.629 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.43 -37.93 80.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.513 -0.475 . . . . 83.13 111.052 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.72 -46.73 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.731 -0.388 . . . . 55.14 111.033 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.68 -34.17 77.58 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.619 -0.432 . . . . 65.81 111.715 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.33 -33.99 65.42 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.543 -0.463 . . . . 61.62 111.342 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -71.38 -38.01 71.54 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.567 -0.453 . . . . 85.4 110.985 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.77 -36.87 76.11 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.674 0.25 . . . . 57.99 111.674 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.33 -36.11 80.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.232 -0.587 . . . . 58.25 111.336 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.31 74.25 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.386 -0.525 . . . . 52.53 111.603 176.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.97 82.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.606 -0.437 . . . . 51.05 111.402 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -66.48 -32.35 73.66 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.39 -0.524 . . . . 60.84 111.808 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.35 -35.85 71.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.587 -0.445 . . . . 75.82 111.276 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -66.54 -34.98 79.11 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.643 -0.823 . . . . 89.22 110.894 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.95 -36.83 69.99 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.474 -0.49 . . . . 67.61 111.581 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -76.52 -28.8 56.52 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.766 -0.774 . . . . 61.43 112.048 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -73.37 -32.62 64.61 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.296 -0.562 . . . . 81.92 111.534 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.43 43.99 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.749 -0.381 . . . . 60.47 111.485 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' MSE . . . . . . . . . . . . . 6.5 ttm -64.52 -38.27 90.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.07 0.462 . . . . 116.2 110.402 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -70.38 -34.29 72.41 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.539 -0.755 . . . . 97.64 111.468 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -69.22 -40.25 78.07 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.367 -0.533 . . . . 81.36 111.047 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -62.7 -44.13 97.02 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.695 -0.402 . . . . 67.25 111.288 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.56 -30.69 71.05 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.322 -0.551 . . . . 72.05 111.912 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.15 -37.34 61.39 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.828 -0.749 . . . . 84.14 110.9 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 16.3 mm -69.91 -38.31 75.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 120.889 0.376 . . . . 59.78 110.249 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.39 -27.93 68.23 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.888 -0.507 . . . . 65.84 111.376 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -77.98 -38.06 45.93 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.831 -0.348 . . . . 77.56 111.564 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.06 -43.7 86.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.498 -0.481 . . . . 78.94 111.583 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -70.59 -24.19 62.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.74 0.644 . . . . 113.75 112.74 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -26.3 53.48 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.984 -0.687 . . . . 44.49 111.044 175.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -82.33 -32.78 29.2 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 111.564 0.209 . . . . 87.39 111.564 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.84 -25.7 56.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.597 -0.441 . . . . 103.13 111.575 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.39 -30.8 48.03 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 111.905 0.335 . . . . 59.87 111.905 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.29 -38.95 78.56 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.131 -0.628 . . . . 70.89 111.174 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -81.36 -23.74 37.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.905 0.705 . . . . 58.01 112.905 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -72.74 -41.31 65.3 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.451 -0.499 . . . . 54.78 111.157 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.74 -32.14 73.53 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.773 -0.371 . . . . 79.28 111.921 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -32.25 73.71 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.175 -0.61 . . . . 46.29 111.903 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 97.1 p -77.2 -36.45 54.86 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.459 -0.497 . . . . 58.71 111.074 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -62.86 -37.5 87.11 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.502 -0.479 . . . . 83.57 110.976 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -68.69 -34.67 76.06 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.138 -0.625 . . . . 107.72 111.444 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.55 -29.46 46.39 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.102 0.408 . . . . 101.34 112.102 -178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.54 -30.44 63.08 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.231 -0.988 . . . . 90.57 110.294 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -71.75 -31.34 66.55 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.401 -0.52 . . . . 71.07 110.531 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -70.7 -34.98 72.52 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.033 -0.667 . . . . 112.37 111.973 174.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -83.56 -35.51 24.69 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 113.039 0.755 . . . . 81.18 113.039 -172.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.4 tp -73.17 -26.66 61.27 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.412 -0.515 . . . . 64.05 111.337 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' MSE . . . . . . . . . . . . . 1.4 tpt -77.71 -41.43 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.192 0.597 . . . . 145.24 111.446 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 47.1 t -68.25 -24.08 64.86 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.336 -0.545 . . . . 67.08 111.521 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -75.2 -33.48 61.41 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.017 0.377 . . . . 57.83 112.017 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.3 -32.31 66.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.019 -0.272 . . . . 53.8 111.436 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.56 -38.19 77.31 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 121.016 -0.274 . . . . 66.32 111.029 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.93 -33.47 73.78 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.904 -0.318 . . . . 105.03 111.752 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.77 75.35 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.344 -0.543 . . . . 42.02 111.221 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -60.21 -43.68 95.78 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.631 -0.427 . . . . 75.77 111.164 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.61 -37.01 77.46 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.649 -0.42 . . . . 66.59 110.847 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 tp -71.73 -31.16 66.4 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 112.102 0.408 . . . . 65.98 112.102 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.0 -44.37 78.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.512 -0.475 . . . . 56.71 110.752 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -66.67 -33.03 74.75 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.904 -0.497 . . . . 103.06 111.414 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -72.17 -44.77 62.54 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.391 -0.524 . . . . 106.3 111.07 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.44 -30.97 72.0 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.62 -0.432 . . . . 76.48 111.703 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.45 -37.01 92.35 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.936 -1.126 . . . . 54.04 112.518 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.94 -39.28 72.72 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.198 -0.589 . . . . 59.04 110.94 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -66.84 -30.3 70.44 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.971 0.36 . . . . 96.26 111.971 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -75.09 -34.21 61.72 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.81 -0.356 . . . . 55.81 111.292 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.68 -38.51 77.06 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.279 -0.568 . . . . 77.9 111.586 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.13 -23.94 57.93 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.841 0.682 . . . . 129.77 112.841 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.55 -31.62 63.74 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.42 -0.912 . . . . 53.07 110.635 172.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -73.88 -32.45 63.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.707 -0.397 . . . . 67.76 111.356 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.99 -38.43 76.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.83 -0.348 . . . . 77.8 110.952 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -66.26 -35.39 80.29 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.7 -0.4 . . . . 58.55 111.011 175.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.09 -35.26 77.89 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.171 -0.612 . . . . 73.05 111.488 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.53 -30.6 59.81 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.733 -0.387 . . . . 105.03 110.97 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -66.89 -38.05 85.56 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.483 0.182 . . . . 104.96 111.23 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.02 -38.16 69.62 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.683 -0.407 . . . . 67.02 112.004 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.41 -34.68 77.75 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.028 -0.669 . . . . 66.74 111.679 -178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.8 m -67.82 -33.0 73.94 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.187 -0.605 . . . . 71.16 111.55 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -70.48 -37.99 74.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.997 -0.281 . . . . 99.91 111.471 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 32.5 mt -65.71 -44.79 93.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.083 0.468 . . . . 51.71 110.761 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.47 -32.77 74.54 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.428 -0.509 . . . . 57.26 111.821 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -74.14 -40.48 62.6 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.356 -0.538 . . . . 92.07 111.535 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -64.8 -34.11 77.57 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.594 -0.442 . . . . 55.36 111.814 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -70.39 -38.04 74.61 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.98 -0.688 . . . . 73.68 111.185 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -63.79 -38.57 91.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.222 -0.591 . . . . 59.97 111.028 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.31 -35.11 77.33 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.198 -0.601 . . . . 86.45 111.437 177.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.12 -43.71 95.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.682 -0.407 . . . . 59.42 110.603 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.29 96.66 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.394 -0.522 . . . . 53.99 111.068 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -64.47 -38.56 91.44 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.398 -0.521 . . . . 71.17 111.311 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.25 -27.12 61.4 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.801 -0.76 . . . . 50.56 111.705 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' LYS . . . . . 0.41 ' NZ ' ' OE1' ' B' ' 141' ' ' GLU . 54.0 mttm -74.67 -30.6 61.65 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.475 -0.49 . . . . 102.95 111.258 177.255 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -25.87 62.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 111.93 0.344 . . . . 94.67 111.93 175.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 48.5 mt -72.53 -40.58 66.66 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.857 -0.737 . . . . 60.34 111.596 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.19 -9.45 10.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 112.907 0.706 . . . . 75.9 112.907 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.1 49.61 26.51 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 118.479 0.581 . . . . 75.86 112.155 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' GLU . . . . . 0.41 ' OE1' ' NZ ' ' B' ' 136' ' ' LYS . 13.2 tt0 . . . . . 0 C--O 1.235 0.306 0 N-CA-C 112.609 0.596 . . . . 74.94 112.609 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.446 ' O ' ' NE2' ' A' ' 59' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.811 0.339 . . . . 89.21 111.417 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -107.46 146.11 32.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.175 0.512 . . . . 68.46 110.367 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.5 p -82.8 173.45 11.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 122.037 0.923 . . . . 54.12 110.721 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.06 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.272 -0.876 . . . . 48.2 110.534 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 28' ' ' ASP . 16.9 tttm -68.8 -34.11 74.98 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.837 -0.54 . . . . 58.64 111.85 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.02 -39.83 79.03 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.361 -0.536 . . . . 64.52 111.192 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.42 -30.62 69.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.346 -0.542 . . . . 60.45 111.633 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -73.31 -40.66 64.32 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.239 -0.584 . . . . 78.93 111.12 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 24' ' ' LYS . 71.2 m-20 -63.76 -41.17 98.05 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.605 -0.438 . . . . 60.41 111.398 176.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' CG ' HD22 ' B' ' 30' ' ' ASN . 16.6 tppt? -65.02 -38.54 91.26 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.067 -0.653 . . . . 50.99 110.766 175.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . 0.509 ' ND2' ' OD1' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -59.35 -44.43 92.68 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.816 -0.353 . . . . 78.46 110.964 174.369 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.74 -37.8 85.57 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.897 -0.321 . . . . 78.73 111.093 176.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.17 -45.4 81.02 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.288 -0.257 . . . . 84.19 111.32 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.69 -32.57 74.19 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.608 -0.437 . . . . 44.59 111.844 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.33 -39.72 81.84 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.329 -0.549 . . . . 39.83 111.135 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -66.73 -27.97 68.05 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.337 -0.545 . . . . 55.34 111.288 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -74.89 -33.1 62.0 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.707 0.262 . . . . 100.87 111.707 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -69.38 -38.3 77.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.953 0.406 . . . . 48.68 110.237 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.49 91.35 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 122.129 -0.357 . . . . 50.66 111.341 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.698 ' HB2' ' O ' ' A' ' 223' ' ' HOH . 83.0 t60 -66.8 -46.05 76.43 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 121.984 -0.448 . . . . 72.55 111.165 179.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.21 -31.46 72.62 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.614 -0.434 . . . . 44.35 111.755 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.13 -31.11 64.09 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.23 -0.588 . . . . 64.04 111.428 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -70.86 -29.15 65.18 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.24 -0.584 . . . . 74.46 111.459 173.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -69.17 -42.94 75.2 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.671 -0.412 . . . . 106.1 111.265 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.67 -43.03 98.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.025 0.44 . . . . 47.13 110.435 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.67 68.2 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.885 -0.509 . . . . 46.35 111.732 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -73.35 -41.34 63.55 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.28 -0.568 . . . . 72.1 111.06 176.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.4 -24.18 62.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.401 0.519 . . . . 58.84 112.401 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -77.27 -32.9 55.85 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.488 -0.485 . . . . 93.75 111.636 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -68.92 -37.93 79.24 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.536 -0.466 . . . . 86.35 110.785 174.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.1 mt -66.89 -46.59 74.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.733 0.302 . . . . 55.01 111.228 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.81 -32.68 74.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.604 -0.438 . . . . 63.86 111.804 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -71.87 -34.57 69.3 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.837 -0.745 . . . . 94.76 111.416 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.7 mtm-85 -72.29 -38.08 68.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.394 -0.522 . . . . 76.58 111.177 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.92 -37.1 78.72 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.538 -0.465 . . . . 90.75 111.1 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -67.62 -35.54 79.12 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.954 -0.699 . . . . 68.87 111.273 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.01 74.34 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.422 -0.511 . . . . 60.64 110.903 175.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.73 80.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.317 -0.553 . . . . 52.94 111.155 176.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.97 -31.85 73.29 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.537 0.199 . . . . 84.06 111.537 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' OE1' ' NH1' ' A' ' 62' ' ' ARG . 37.4 tp60 -71.69 -37.16 70.75 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.558 -0.457 . . . . 102.79 111.53 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -67.91 -35.81 79.11 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.454 -0.498 . . . . 99.69 111.318 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.73 -35.43 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.245 -0.582 . . . . 76.65 111.065 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' NH1' ' OE1' ' A' ' 59' ' ' GLN . 14.9 mtp-105 -76.36 -29.89 57.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.293 0.479 . . . . 93.52 112.293 -179.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.37 -32.92 62.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.37 -0.532 . . . . 93.75 111.603 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.37 -32.45 43.11 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.088 0.403 . . . . 66.99 112.088 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MSE . . . . . 0.527 ' HB2' ' HE2' ' B' ' 65' ' ' MSE . 20.5 ttt -71.5 -33.31 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.793 -0.447 . . . . 152.74 109.793 177.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.4 ttm105 -63.44 -38.12 89.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.904 -0.589 . . . . 101.48 111.177 175.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -37.65 72.68 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.446 -0.502 . . . . 107.84 111.192 179.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -60.23 -45.14 94.26 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 122.13 -0.357 . . . . 86.36 111.059 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.56 -31.42 70.62 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.611 -0.436 . . . . 97.65 111.378 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -75.42 -38.31 59.91 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.807 0.299 . . . . 114.48 111.807 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.75 -37.75 70.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.198 -0.601 . . . . 85.97 110.34 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.21 -29.99 70.84 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.943 -0.473 . . . . 71.73 111.666 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -79.53 -37.27 36.94 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.518 -0.473 . . . . 118.42 111.101 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -43.84 94.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.775 -0.37 . . . . 112.73 111.249 177.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -70.93 -25.29 62.68 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.249 -0.58 . . . . 99.31 112.287 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.17 -27.51 48.05 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.512 0.56 . . . . 85.58 112.512 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -34.17 27.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 112.002 0.371 . . . . 110.68 112.002 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.21 -22.45 55.24 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.111 0.412 . . . . 95.53 112.111 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -30.5 60.13 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.528 -0.469 . . . . 79.44 111.646 174.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.69 -36.66 76.17 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.192 -0.603 . . . . 78.68 111.139 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -77.67 -24.74 49.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.26 -0.576 . . . . 79.61 112.046 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -74.1 -40.22 62.85 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.421 -0.511 . . . . 72.69 110.945 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.83 -35.86 82.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.453 -0.499 . . . . 101.23 111.08 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -31.53 71.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.489 -0.484 . . . . 73.12 111.419 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.7 m -76.3 -36.67 58.23 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.593 -0.443 . . . . 71.13 111.399 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -63.21 -36.09 82.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.15 -0.62 . . . . 89.65 110.975 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . 0.628 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 73.3 ttt-85 -68.23 -31.06 70.29 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.488 -0.485 . . . . 98.68 111.21 175.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -75.92 -32.71 59.73 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.155 -0.618 . . . . 125.12 111.149 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.0 -32.3 45.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.577 0.584 . . . . 126.46 112.577 176.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.95 -31.47 64.6 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.543 -0.463 . . . . 68.5 111.64 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . 0.628 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 92.9 mt-10 -71.33 -34.74 70.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.532 0.206 . . . . 124.16 111.187 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PHE . . . . . 0.472 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 81.1 t80 -82.13 -34.31 29.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.728 -0.215 . . . . 76.86 111.515 -172.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 tp -73.78 -34.54 64.7 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.008 -0.677 . . . . 65.87 111.079 174.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' MSE . . . . . . . . . . . . . 15.0 tpt -63.52 -43.02 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.342 -0.224 . . . . 125.81 111.251 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.9 p -70.53 -24.18 62.77 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.582 -0.847 . . . . 62.74 111.535 -177.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 92' ' ' PHE . 53.3 mtmt -74.95 -33.13 61.89 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.811 -0.177 . . . . 104.65 111.113 174.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -73.7 -36.0 65.21 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.469 -0.493 . . . . 76.43 111.126 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.48 -37.38 74.24 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.25 -0.58 . . . . 84.77 111.447 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.85 -34.85 78.71 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.163 -0.615 . . . . 102.11 111.032 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.05 -43.15 62.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.758 -0.377 . . . . 55.53 111.469 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -61.22 -45.17 95.68 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.405 -0.518 . . . . 107.36 111.314 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.08 -34.87 74.03 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.327 -0.549 . . . . 78.09 111.416 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.28 -29.68 68.52 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.589 -0.445 . . . . 68.42 111.289 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.29 -42.64 81.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.523 -0.471 . . . . 58.49 110.212 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.8 -34.98 79.41 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.101 -0.64 . . . . 93.48 111.307 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -73.9 -43.37 58.68 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.185 -0.606 . . . . 105.25 111.396 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.66 -35.28 80.04 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.37 -0.532 . . . . 58.24 111.483 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.75 -38.53 66.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.164 -1.017 . . . . 62.3 113.065 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -72.27 -38.9 68.71 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 122.249 -0.56 . . . . 61.78 111.536 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -66.4 -27.8 68.14 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.078 -0.649 . . . . 94.9 110.909 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -72.96 -36.9 67.23 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.737 -0.385 . . . . 85.27 111.096 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.7 -34.77 69.89 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.434 -0.506 . . . . 59.17 111.102 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.19 -26.67 61.25 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.921 -0.712 . . . . 94.87 111.395 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.15 -33.84 59.38 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 111.969 0.359 . . . . 61.47 111.969 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.26 -31.44 62.56 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.483 -0.487 . . . . 81.69 111.706 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -69.53 -38.58 77.57 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.376 -0.529 . . . . 95.16 110.96 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 117' ' ' LYS . 19.5 ttmt -67.29 -37.4 83.34 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 121.078 -0.249 . . . . 71.65 111.492 178.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -69.1 -33.76 74.01 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.892 0.331 . . . . 63.1 111.892 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.82 -30.68 61.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.395 -0.522 . . . . 108.94 111.355 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -68.14 -35.53 78.25 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.247 -0.581 . . . . 89.94 110.829 172.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.4 -36.51 79.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.508 -0.477 . . . . 68.8 110.948 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.46 -32.9 74.56 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.255 -0.578 . . . . 71.37 111.232 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 m -66.57 -34.51 78.07 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.472 -0.491 . . . . 67.91 111.458 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -70.85 -38.93 73.2 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.227 -0.589 . . . . 88.8 110.827 175.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mt -65.33 -43.73 94.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.656 -0.417 . . . . 63.44 110.294 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.01 73.39 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.453 -0.499 . . . . 59.07 111.334 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -73.62 -41.24 63.06 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.47 -0.492 . . . . 67.79 110.869 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.14 -34.22 77.88 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.502 -0.479 . . . . 51.81 111.756 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -70.11 -38.84 75.7 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.239 -0.584 . . . . 75.06 111.465 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.84 -38.01 89.53 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.234 -0.586 . . . . 75.02 111.086 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.75 -35.3 78.48 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.602 -0.439 . . . . 67.21 111.206 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.87 -44.62 92.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.77 -0.372 . . . . 67.85 110.655 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.51 93.74 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.945 -0.472 . . . . 63.13 111.47 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -63.33 -39.65 95.13 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.521 -0.472 . . . . 64.59 111.278 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.03 -26.71 60.57 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.115 -0.634 . . . . 55.06 111.783 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -75.77 -29.53 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.486 -0.886 . . . . 85.27 112.061 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -69.34 -25.95 64.46 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.044 -1.062 . . . . 86.35 110.621 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.88 -33.57 68.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 111.809 0.3 . . . . 83.93 111.809 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.4 -8.8 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.055 -0.658 . . . . 85.97 112.512 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -97.0 46.37 1.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 109.509 -1.437 . . . . 99.43 109.509 175.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -154.14 -58.86 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.033 0.933 . . . . 97.32 108.987 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 123.784 0.833 . . . . 93.65 112.687 174.984 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.143 0.301 . . . . 59.85 112.962 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -72.55 -44.91 61.48 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.764 0.316 . . . . 72.5 111.411 -176.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -105.5 147.73 28.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 67.51 111.919 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 89.2 p -82.61 174.08 11.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.173 -0.921 . . . . 56.73 110.793 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.46 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 115.264 -0.88 . . . . 48.17 110.67 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -69.37 -34.0 73.9 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.123 -0.631 . . . . 98.54 111.876 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -69.92 -40.45 75.54 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.123 -0.631 . . . . 57.89 111.222 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 43.3 mt -68.32 -30.99 70.09 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.781 -0.367 . . . . 40.92 111.9 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 89.4 mt-10 -73.52 -41.59 62.85 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.883 -0.727 . . . . 76.43 111.238 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.11 -39.17 93.9 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.238 -0.585 . . . . 64.27 110.958 176.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.04 -37.36 87.35 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.793 -0.363 . . . . 50.1 111.081 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASN . . . . . 0.509 ' OD1' ' ND2' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -59.45 -44.91 92.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.722 0.296 . . . . 65.42 111.294 176.229 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 50.2 mm-40 -62.2 -35.81 79.99 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.59 -0.444 . . . . 98.22 111.059 175.571 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -64.58 -44.86 89.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.783 0.325 . . . . 91.15 111.116 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.6 -32.8 74.36 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.335 -0.546 . . . . 42.5 111.556 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.05 -39.45 79.16 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.766 -0.373 . . . . 42.15 111.558 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -65.31 -27.97 68.98 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.01 -0.676 . . . . 45.07 111.779 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -75.4 -32.58 60.81 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.484 -0.486 . . . . 92.43 111.454 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.6 mt -68.73 -37.74 77.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 120.938 0.399 . . . . 55.13 110.278 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.11 82.46 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.883 -0.511 . . . . 55.57 111.049 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.77 -45.6 70.96 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.562 -0.455 . . . . 70.37 110.973 176.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.87 -31.04 72.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.507 -0.477 . . . . 53.85 111.652 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -72.32 -32.91 66.96 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.939 -0.704 . . . . 62.35 111.516 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.75 -30.39 66.89 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.086 -0.645 . . . . 47.28 111.441 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -70.99 -42.58 69.45 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.626 -0.43 . . . . 85.92 111.109 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.84 -43.47 98.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.015 0.436 . . . . 44.1 110.528 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.36 67.81 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.094 -0.642 . . . . 50.8 111.236 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -73.22 -40.66 64.53 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.281 -0.568 . . . . 56.09 111.107 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.45 -23.89 61.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.403 0.52 . . . . 46.81 112.403 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.9 -33.8 59.94 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.308 -0.557 . . . . 78.07 111.629 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.43 -37.93 80.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.513 -0.475 . . . . 83.13 111.052 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.72 -46.73 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.731 -0.388 . . . . 55.14 111.033 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.68 -34.17 77.58 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.619 -0.432 . . . . 65.81 111.715 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.33 -33.99 65.42 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.543 -0.463 . . . . 61.62 111.342 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -71.38 -38.01 71.54 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.567 -0.453 . . . . 85.4 110.985 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.77 -36.87 76.11 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.674 0.25 . . . . 57.99 111.674 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.33 -36.11 80.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.232 -0.587 . . . . 58.25 111.336 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.31 74.25 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.386 -0.525 . . . . 52.53 111.603 176.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.97 82.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.606 -0.437 . . . . 51.05 111.402 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -66.48 -32.35 73.66 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.39 -0.524 . . . . 60.84 111.808 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.35 -35.85 71.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.587 -0.445 . . . . 75.82 111.276 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -66.54 -34.98 79.11 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.643 -0.823 . . . . 89.22 110.894 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.95 -36.83 69.99 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.474 -0.49 . . . . 67.61 111.581 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -76.52 -28.8 56.52 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.766 -0.774 . . . . 61.43 112.048 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -73.37 -32.62 64.61 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.296 -0.562 . . . . 81.92 111.534 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.43 43.99 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.749 -0.381 . . . . 60.47 111.485 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' MSE . . . . . 0.527 ' HE2' ' HB2' ' A' ' 65' ' ' MSE . 6.5 ttm -64.52 -38.27 90.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.07 0.462 . . . . 116.2 110.402 178.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -70.38 -34.29 72.41 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.539 -0.755 . . . . 97.64 111.468 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -69.22 -40.25 78.07 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.367 -0.533 . . . . 81.36 111.047 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -62.7 -44.13 97.02 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.695 -0.402 . . . . 67.25 111.288 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.56 -30.69 71.05 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.322 -0.551 . . . . 72.05 111.912 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.15 -37.34 61.39 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.828 -0.749 . . . . 84.14 110.9 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 16.3 mm -69.91 -38.31 75.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 120.889 0.376 . . . . 59.78 110.249 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.39 -27.93 68.23 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.888 -0.507 . . . . 65.84 111.376 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -77.98 -38.06 45.93 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.831 -0.348 . . . . 77.56 111.564 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.06 -43.7 86.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.498 -0.481 . . . . 78.94 111.583 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -70.59 -24.19 62.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.74 0.644 . . . . 113.75 112.74 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -26.3 53.48 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.984 -0.687 . . . . 44.49 111.044 175.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -82.33 -32.78 29.2 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 111.564 0.209 . . . . 87.39 111.564 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.84 -25.7 56.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.597 -0.441 . . . . 103.13 111.575 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.39 -30.8 48.03 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 111.905 0.335 . . . . 59.87 111.905 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.29 -38.95 78.56 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.131 -0.628 . . . . 70.89 111.174 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -81.36 -23.74 37.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.905 0.705 . . . . 58.01 112.905 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -72.74 -41.31 65.3 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.451 -0.499 . . . . 54.78 111.157 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.74 -32.14 73.53 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.773 -0.371 . . . . 79.28 111.921 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -32.25 73.71 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.175 -0.61 . . . . 46.29 111.903 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 97.1 p -77.2 -36.45 54.86 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.459 -0.497 . . . . 58.71 111.074 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -62.86 -37.5 87.11 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.502 -0.479 . . . . 83.57 110.976 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -68.69 -34.67 76.06 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.138 -0.625 . . . . 107.72 111.444 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.55 -29.46 46.39 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.102 0.408 . . . . 101.34 112.102 -178.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.54 -30.44 63.08 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.231 -0.988 . . . . 90.57 110.294 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -71.75 -31.34 66.55 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.401 -0.52 . . . . 71.07 110.531 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -70.7 -34.98 72.52 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.033 -0.667 . . . . 112.37 111.973 174.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -83.56 -35.51 24.69 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 113.039 0.755 . . . . 81.18 113.039 -172.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.4 tp -73.17 -26.66 61.27 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.412 -0.515 . . . . 64.05 111.337 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' MSE . . . . . . . . . . . . . 1.4 tpt -77.71 -41.43 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.192 0.597 . . . . 145.24 111.446 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 47.1 t -68.25 -24.08 64.86 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.336 -0.545 . . . . 67.08 111.521 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -75.2 -33.48 61.41 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.017 0.377 . . . . 57.83 112.017 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.3 -32.31 66.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.019 -0.272 . . . . 53.8 111.436 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.56 -38.19 77.31 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 121.016 -0.274 . . . . 66.32 111.029 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.93 -33.47 73.78 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.904 -0.318 . . . . 105.03 111.752 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.77 75.35 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.344 -0.543 . . . . 42.02 111.221 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -60.21 -43.68 95.78 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.631 -0.427 . . . . 75.77 111.164 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.61 -37.01 77.46 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.649 -0.42 . . . . 66.59 110.847 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 tp -71.73 -31.16 66.4 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 112.102 0.408 . . . . 65.98 112.102 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.0 -44.37 78.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.512 -0.475 . . . . 56.71 110.752 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -66.67 -33.03 74.75 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.904 -0.497 . . . . 103.06 111.414 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -72.17 -44.77 62.54 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.391 -0.524 . . . . 106.3 111.07 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.44 -30.97 72.0 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.62 -0.432 . . . . 76.48 111.703 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.45 -37.01 92.35 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.936 -1.126 . . . . 54.04 112.518 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.94 -39.28 72.72 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.198 -0.589 . . . . 59.04 110.94 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -66.84 -30.3 70.44 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.971 0.36 . . . . 96.26 111.971 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -75.09 -34.21 61.72 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.81 -0.356 . . . . 55.81 111.292 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.68 -38.51 77.06 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.279 -0.568 . . . . 77.9 111.586 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.13 -23.94 57.93 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.841 0.682 . . . . 129.77 112.841 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.55 -31.62 63.74 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.42 -0.912 . . . . 53.07 110.635 172.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -73.88 -32.45 63.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.707 -0.397 . . . . 67.76 111.356 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.99 -38.43 76.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.83 -0.348 . . . . 77.8 110.952 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -66.26 -35.39 80.29 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.7 -0.4 . . . . 58.55 111.011 175.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.09 -35.26 77.89 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.171 -0.612 . . . . 73.05 111.488 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.53 -30.6 59.81 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.733 -0.387 . . . . 105.03 110.97 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -66.89 -38.05 85.56 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.483 0.182 . . . . 104.96 111.23 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.02 -38.16 69.62 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.683 -0.407 . . . . 67.02 112.004 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.41 -34.68 77.75 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.028 -0.669 . . . . 66.74 111.679 -178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.8 m -67.82 -33.0 73.94 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.187 -0.605 . . . . 71.16 111.55 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -70.48 -37.99 74.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.997 -0.281 . . . . 99.91 111.471 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 32.5 mt -65.71 -44.79 93.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.083 0.468 . . . . 51.71 110.761 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.47 -32.77 74.54 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.428 -0.509 . . . . 57.26 111.821 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -74.14 -40.48 62.6 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.356 -0.538 . . . . 92.07 111.535 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -64.8 -34.11 77.57 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.594 -0.442 . . . . 55.36 111.814 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -70.39 -38.04 74.61 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.98 -0.688 . . . . 73.68 111.185 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -63.79 -38.57 91.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.222 -0.591 . . . . 59.97 111.028 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.31 -35.11 77.33 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.198 -0.601 . . . . 86.45 111.437 177.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.12 -43.71 95.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.682 -0.407 . . . . 59.42 110.603 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.29 96.66 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.394 -0.522 . . . . 53.99 111.068 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -64.47 -38.56 91.44 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.398 -0.521 . . . . 71.17 111.311 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.25 -27.12 61.4 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.801 -0.76 . . . . 50.56 111.705 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' LYS . . . . . 0.41 ' NZ ' ' OE1' ' B' ' 141' ' ' GLU . 54.0 mttm -74.67 -30.6 61.65 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.475 -0.49 . . . . 102.95 111.258 177.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -25.87 62.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 111.93 0.344 . . . . 94.67 111.93 175.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 48.5 mt -72.53 -40.58 66.66 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.857 -0.737 . . . . 60.34 111.596 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.19 -9.45 10.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 112.907 0.706 . . . . 75.9 112.907 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.1 49.61 26.51 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 118.479 0.581 . . . . 75.86 112.155 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' GLU . . . . . 0.41 ' OE1' ' NZ ' ' B' ' 136' ' ' LYS . 13.2 tt0 . . . . . 0 C--O 1.235 0.306 0 N-CA-C 112.609 0.596 . . . . 74.94 112.609 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . 0.698 ' O ' ' HB2' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.811 0.339 . . . . 89.21 111.417 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -107.46 146.11 32.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.175 0.512 . . . . 68.46 110.367 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.5 p -82.8 173.45 11.85 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 122.037 0.923 . . . . 54.12 110.721 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.06 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.272 -0.876 . . . . 48.2 110.534 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 28' ' ' ASP . 16.9 tttm -68.8 -34.11 74.98 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.837 -0.54 . . . . 58.64 111.85 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.02 -39.83 79.03 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.361 -0.536 . . . . 64.52 111.192 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.42 -30.62 69.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.346 -0.542 . . . . 60.45 111.633 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -73.31 -40.66 64.32 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.239 -0.584 . . . . 78.93 111.12 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 24' ' ' LYS . 71.2 m-20 -63.76 -41.17 98.05 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.605 -0.438 . . . . 60.41 111.398 176.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -65.02 -38.54 91.26 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.067 -0.653 . . . . 50.99 110.766 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.538 ' OD1' ' ND2' ' B' ' 30' ' ' ASN . 0.7 OUTLIER -59.35 -44.43 92.68 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.816 -0.353 . . . . 78.46 110.964 174.369 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.74 -37.8 85.57 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.897 -0.321 . . . . 78.73 111.093 176.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.17 -45.4 81.02 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.288 -0.257 . . . . 84.19 111.32 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.69 -32.57 74.19 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.608 -0.437 . . . . 44.59 111.844 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.33 -39.72 81.84 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.329 -0.549 . . . . 39.83 111.135 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -66.73 -27.97 68.05 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.337 -0.545 . . . . 55.34 111.288 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -74.89 -33.1 62.0 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.707 0.262 . . . . 100.87 111.707 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -69.38 -38.3 77.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 120.953 0.406 . . . . 48.68 110.237 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.49 91.35 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 122.129 -0.357 . . . . 50.66 111.341 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.698 ' HB2' ' O ' ' A' ' 223' ' ' HOH . 83.0 t60 -66.8 -46.05 76.43 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 121.984 -0.448 . . . . 72.55 111.165 179.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.21 -31.46 72.62 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.614 -0.434 . . . . 44.35 111.755 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.13 -31.11 64.09 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.23 -0.588 . . . . 64.04 111.428 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -70.86 -29.15 65.18 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.24 -0.584 . . . . 74.46 111.459 173.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -69.17 -42.94 75.2 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.671 -0.412 . . . . 106.1 111.265 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.67 -43.03 98.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.025 0.44 . . . . 47.13 110.435 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.67 68.2 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.885 -0.509 . . . . 46.35 111.732 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -73.35 -41.34 63.55 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.28 -0.568 . . . . 72.1 111.06 176.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.4 -24.18 62.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.401 0.519 . . . . 58.84 112.401 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -77.27 -32.9 55.85 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.488 -0.485 . . . . 93.75 111.636 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -68.92 -37.93 79.24 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.536 -0.466 . . . . 86.35 110.785 174.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.1 mt -66.89 -46.59 74.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.733 0.302 . . . . 55.01 111.228 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.81 -32.68 74.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.604 -0.438 . . . . 63.86 111.804 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -71.87 -34.57 69.3 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.837 -0.745 . . . . 94.76 111.416 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.7 mtm-85 -72.29 -38.08 68.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.394 -0.522 . . . . 76.58 111.177 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.92 -37.1 78.72 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.538 -0.465 . . . . 90.75 111.1 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -67.62 -35.54 79.12 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.954 -0.699 . . . . 68.87 111.273 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.19 -36.01 74.34 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.422 -0.511 . . . . 60.64 110.903 175.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.73 80.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.317 -0.553 . . . . 52.94 111.155 176.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.97 -31.85 73.29 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 111.537 0.199 . . . . 84.06 111.537 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' OE1' ' NH1' ' A' ' 62' ' ' ARG . 37.4 tp60 -71.69 -37.16 70.75 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.558 -0.457 . . . . 102.79 111.53 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -67.91 -35.81 79.11 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.454 -0.498 . . . . 99.69 111.318 176.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.73 -35.43 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.245 -0.582 . . . . 76.65 111.065 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' NH1' ' OE1' ' A' ' 59' ' ' GLN . 14.9 mtp-105 -76.36 -29.89 57.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.293 0.479 . . . . 93.52 112.293 -179.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.37 -32.92 62.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.37 -0.532 . . . . 93.75 111.603 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.37 -32.45 43.11 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.088 0.403 . . . . 66.99 112.088 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MSE . . . . . 0.527 ' HB2' ' HE2' ' B' ' 65' ' ' MSE . 20.5 ttt -71.5 -33.31 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.793 -0.447 . . . . 152.74 109.793 177.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.4 ttm105 -63.44 -38.12 89.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.904 -0.589 . . . . 101.48 111.177 175.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -37.65 72.68 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.446 -0.502 . . . . 107.84 111.192 179.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -60.23 -45.14 94.26 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 122.13 -0.357 . . . . 86.36 111.059 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.56 -31.42 70.62 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.611 -0.436 . . . . 97.65 111.378 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -75.42 -38.31 59.91 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.807 0.299 . . . . 114.48 111.807 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 mm -70.75 -37.75 70.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.198 -0.601 . . . . 85.97 110.34 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.21 -29.99 70.84 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.943 -0.473 . . . . 71.73 111.666 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -79.53 -37.27 36.94 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.518 -0.473 . . . . 118.42 111.101 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -43.84 94.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.775 -0.37 . . . . 112.73 111.249 177.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -70.93 -25.29 62.68 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.249 -0.58 . . . . 99.31 112.287 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.17 -27.51 48.05 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.512 0.56 . . . . 85.58 112.512 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -34.17 27.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 112.002 0.371 . . . . 110.68 112.002 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.21 -22.45 55.24 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.111 0.412 . . . . 95.53 112.111 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -30.5 60.13 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.528 -0.469 . . . . 79.44 111.646 174.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.69 -36.66 76.17 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.192 -0.603 . . . . 78.68 111.139 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -77.67 -24.74 49.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.26 -0.576 . . . . 79.61 112.046 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -74.1 -40.22 62.85 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.421 -0.511 . . . . 72.69 110.945 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.83 -35.86 82.48 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.453 -0.499 . . . . 101.23 111.08 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -31.53 71.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.489 -0.484 . . . . 73.12 111.419 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.7 m -76.3 -36.67 58.23 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.593 -0.443 . . . . 71.13 111.399 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -63.21 -36.09 82.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.15 -0.62 . . . . 89.65 110.975 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.628 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 73.3 ttt-85 -68.23 -31.06 70.29 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.488 -0.485 . . . . 98.68 111.21 175.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -75.92 -32.71 59.73 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.155 -0.618 . . . . 125.12 111.149 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.0 -32.3 45.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.577 0.584 . . . . 126.46 112.577 176.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -72.95 -31.47 64.6 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.543 -0.463 . . . . 68.5 111.64 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.628 ' OE2' ' NH1' ' A' ' 87' ' ' ARG . 92.9 mt-10 -71.33 -34.74 70.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.532 0.206 . . . . 124.16 111.187 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.472 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 81.1 t80 -82.13 -34.31 29.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.728 -0.215 . . . . 76.86 111.515 -172.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 tp -73.78 -34.54 64.7 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.008 -0.677 . . . . 65.87 111.079 174.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' MSE . . . . . . . . . . . . . 15.0 tpt -63.52 -43.02 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.342 -0.224 . . . . 125.81 111.251 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.9 p -70.53 -24.18 62.77 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 119.582 -0.847 . . . . 62.74 111.535 -177.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 92' ' ' PHE . 53.3 mtmt -74.95 -33.13 61.89 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.811 -0.177 . . . . 104.65 111.113 174.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -73.7 -36.0 65.21 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.469 -0.493 . . . . 76.43 111.126 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.48 -37.38 74.24 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.25 -0.58 . . . . 84.77 111.447 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.85 -34.85 78.71 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.163 -0.615 . . . . 102.11 111.032 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.05 -43.15 62.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.758 -0.377 . . . . 55.53 111.469 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -61.22 -45.17 95.68 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.405 -0.518 . . . . 107.36 111.314 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.08 -34.87 74.03 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.327 -0.549 . . . . 78.09 111.416 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.28 -29.68 68.52 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.589 -0.445 . . . . 68.42 111.289 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.29 -42.64 81.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.523 -0.471 . . . . 58.49 110.212 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.8 -34.98 79.41 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.101 -0.64 . . . . 93.48 111.307 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -73.9 -43.37 58.68 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.185 -0.606 . . . . 105.25 111.396 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.66 -35.28 80.04 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.37 -0.532 . . . . 58.24 111.483 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.75 -38.53 66.6 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.164 -1.017 . . . . 62.3 113.065 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -72.27 -38.9 68.71 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 122.249 -0.56 . . . . 61.78 111.536 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -66.4 -27.8 68.14 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.078 -0.649 . . . . 94.9 110.909 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -72.96 -36.9 67.23 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.737 -0.385 . . . . 85.27 111.096 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.7 -34.77 69.89 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.434 -0.506 . . . . 59.17 111.102 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.19 -26.67 61.25 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.921 -0.712 . . . . 94.87 111.395 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.15 -33.84 59.38 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 111.969 0.359 . . . . 61.47 111.969 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.26 -31.44 62.56 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.483 -0.487 . . . . 81.69 111.706 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -69.53 -38.58 77.57 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.376 -0.529 . . . . 95.16 110.96 175.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 117' ' ' LYS . 19.5 ttmt -67.29 -37.4 83.34 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 121.078 -0.249 . . . . 71.65 111.492 178.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -69.1 -33.76 74.01 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.892 0.331 . . . . 63.1 111.892 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.82 -30.68 61.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.395 -0.522 . . . . 108.94 111.355 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -68.14 -35.53 78.25 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.247 -0.581 . . . . 89.94 110.829 172.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.4 -36.51 79.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.508 -0.477 . . . . 68.8 110.948 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.46 -32.9 74.56 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.255 -0.578 . . . . 71.37 111.232 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 m -66.57 -34.51 78.07 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.472 -0.491 . . . . 67.91 111.458 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -70.85 -38.93 73.2 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.227 -0.589 . . . . 88.8 110.827 175.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mt -65.33 -43.73 94.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.656 -0.417 . . . . 63.44 110.294 177.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.01 73.39 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.453 -0.499 . . . . 59.07 111.334 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -73.62 -41.24 63.06 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.47 -0.492 . . . . 67.79 110.869 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.14 -34.22 77.88 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.502 -0.479 . . . . 51.81 111.756 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -70.11 -38.84 75.7 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.239 -0.584 . . . . 75.06 111.465 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.84 -38.01 89.53 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.234 -0.586 . . . . 75.02 111.086 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.75 -35.3 78.48 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.602 -0.439 . . . . 67.21 111.206 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.87 -44.62 92.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.77 -0.372 . . . . 67.85 110.655 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.51 93.74 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.945 -0.472 . . . . 63.13 111.47 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -63.33 -39.65 95.13 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.521 -0.472 . . . . 64.59 111.278 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 82.9 mt -74.03 -26.71 60.57 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.115 -0.634 . . . . 55.06 111.783 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -75.77 -29.53 58.82 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.486 -0.886 . . . . 85.27 112.061 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -69.34 -25.95 64.46 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.044 -1.062 . . . . 86.35 110.621 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.88 -33.57 68.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 111.809 0.3 . . . . 83.93 111.809 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.4 -8.8 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.055 -0.658 . . . . 85.97 112.512 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -97.0 46.37 1.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 109.509 -1.437 . . . . 99.43 109.509 175.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -154.14 -58.86 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.033 0.933 . . . . 97.32 108.987 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 123.784 0.833 . . . . 93.65 112.687 174.984 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.143 0.301 . . . . 59.85 112.962 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -72.55 -44.91 61.48 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.764 0.316 . . . . 72.5 111.411 -176.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -105.5 147.73 28.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 67.51 111.919 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 89.2 p -82.61 174.08 11.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.173 -0.921 . . . . 56.73 110.793 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.46 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 115.264 -0.88 . . . . 48.17 110.67 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -69.37 -34.0 73.9 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.123 -0.631 . . . . 98.54 111.876 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -69.92 -40.45 75.54 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.123 -0.631 . . . . 57.89 111.222 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 43.3 mt -68.32 -30.99 70.09 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.781 -0.367 . . . . 40.92 111.9 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 89.4 mt-10 -73.52 -41.59 62.85 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.883 -0.727 . . . . 76.43 111.238 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.11 -39.17 93.9 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.238 -0.585 . . . . 64.27 110.958 176.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.04 -37.36 87.35 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.793 -0.363 . . . . 50.1 111.081 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.538 ' ND2' ' OD1' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -59.45 -44.91 92.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.722 0.296 . . . . 65.42 111.294 176.229 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 50.2 mm-40 -62.2 -35.81 79.99 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.59 -0.444 . . . . 98.22 111.059 175.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -64.58 -44.86 89.36 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.783 0.325 . . . . 91.15 111.116 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.6 -32.8 74.36 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.335 -0.546 . . . . 42.5 111.556 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.05 -39.45 79.16 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.766 -0.373 . . . . 42.15 111.558 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -65.31 -27.97 68.98 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.01 -0.676 . . . . 45.07 111.779 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -75.4 -32.58 60.81 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.484 -0.486 . . . . 92.43 111.454 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.6 mt -68.73 -37.74 77.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 120.938 0.399 . . . . 55.13 110.278 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.11 82.46 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 121.883 -0.511 . . . . 55.57 111.049 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.77 -45.6 70.96 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.562 -0.455 . . . . 70.37 110.973 176.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.87 -31.04 72.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.507 -0.477 . . . . 53.85 111.652 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -72.32 -32.91 66.96 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.939 -0.704 . . . . 62.35 111.516 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.75 -30.39 66.89 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.086 -0.645 . . . . 47.28 111.441 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -70.99 -42.58 69.45 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.626 -0.43 . . . . 85.92 111.109 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.84 -43.47 98.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.015 0.436 . . . . 44.1 110.528 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.36 67.81 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.094 -0.642 . . . . 50.8 111.236 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -73.22 -40.66 64.53 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.281 -0.568 . . . . 56.09 111.107 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.45 -23.89 61.92 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.403 0.52 . . . . 46.81 112.403 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.9 -33.8 59.94 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.308 -0.557 . . . . 78.07 111.629 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.43 -37.93 80.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.513 -0.475 . . . . 83.13 111.052 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.72 -46.73 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.731 -0.388 . . . . 55.14 111.033 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.68 -34.17 77.58 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.619 -0.432 . . . . 65.81 111.715 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.33 -33.99 65.42 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.543 -0.463 . . . . 61.62 111.342 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -71.38 -38.01 71.54 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.567 -0.453 . . . . 85.4 110.985 176.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.77 -36.87 76.11 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.674 0.25 . . . . 57.99 111.674 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.33 -36.11 80.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.232 -0.587 . . . . 58.25 111.336 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.31 74.25 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.386 -0.525 . . . . 52.53 111.603 176.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.97 82.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.606 -0.437 . . . . 51.05 111.402 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -66.48 -32.35 73.66 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.39 -0.524 . . . . 60.84 111.808 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.35 -35.85 71.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.587 -0.445 . . . . 75.82 111.276 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -66.54 -34.98 79.11 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.643 -0.823 . . . . 89.22 110.894 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.95 -36.83 69.99 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.474 -0.49 . . . . 67.61 111.581 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -76.52 -28.8 56.52 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.766 -0.774 . . . . 61.43 112.048 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -73.37 -32.62 64.61 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.296 -0.562 . . . . 81.92 111.534 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.43 43.99 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.749 -0.381 . . . . 60.47 111.485 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' MSE . . . . . 0.527 ' HE2' ' HB2' ' A' ' 65' ' ' MSE . 6.5 ttm -64.52 -38.27 90.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.07 0.462 . . . . 116.2 110.402 178.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -70.38 -34.29 72.41 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.539 -0.755 . . . . 97.64 111.468 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -69.22 -40.25 78.07 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.367 -0.533 . . . . 81.36 111.047 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -62.7 -44.13 97.02 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.695 -0.402 . . . . 67.25 111.288 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.56 -30.69 71.05 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.322 -0.551 . . . . 72.05 111.912 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.15 -37.34 61.39 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.828 -0.749 . . . . 84.14 110.9 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 16.3 mm -69.91 -38.31 75.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 120.889 0.376 . . . . 59.78 110.249 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.39 -27.93 68.23 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.888 -0.507 . . . . 65.84 111.376 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -77.98 -38.06 45.93 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.831 -0.348 . . . . 77.56 111.564 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -66.06 -43.7 86.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.498 -0.481 . . . . 78.94 111.583 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -70.59 -24.19 62.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.74 0.644 . . . . 113.75 112.74 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -26.3 53.48 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.984 -0.687 . . . . 44.49 111.044 175.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -82.33 -32.78 29.2 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 111.564 0.209 . . . . 87.39 111.564 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.84 -25.7 56.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.597 -0.441 . . . . 103.13 111.575 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.39 -30.8 48.03 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 111.905 0.335 . . . . 59.87 111.905 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.29 -38.95 78.56 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.131 -0.628 . . . . 70.89 111.174 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -81.36 -23.74 37.51 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.905 0.705 . . . . 58.01 112.905 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -72.74 -41.31 65.3 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.451 -0.499 . . . . 54.78 111.157 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.74 -32.14 73.53 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.773 -0.371 . . . . 79.28 111.921 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -32.25 73.71 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.175 -0.61 . . . . 46.29 111.903 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 97.1 p -77.2 -36.45 54.86 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.459 -0.497 . . . . 58.71 111.074 175.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -62.86 -37.5 87.11 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.502 -0.479 . . . . 83.57 110.976 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -68.69 -34.67 76.06 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.138 -0.625 . . . . 107.72 111.444 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.55 -29.46 46.39 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.102 0.408 . . . . 101.34 112.102 -178.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.54 -30.44 63.08 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.231 -0.988 . . . . 90.57 110.294 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -71.75 -31.34 66.55 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.401 -0.52 . . . . 71.07 110.531 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -70.7 -34.98 72.52 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.033 -0.667 . . . . 112.37 111.973 174.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -83.56 -35.51 24.69 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 113.039 0.755 . . . . 81.18 113.039 -172.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.4 tp -73.17 -26.66 61.27 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.412 -0.515 . . . . 64.05 111.337 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' MSE . . . . . . . . . . . . . 1.4 tpt -77.71 -41.43 37.91 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.192 0.597 . . . . 145.24 111.446 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 47.1 t -68.25 -24.08 64.86 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.336 -0.545 . . . . 67.08 111.521 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -75.2 -33.48 61.41 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.017 0.377 . . . . 57.83 112.017 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.3 -32.31 66.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 121.019 -0.272 . . . . 53.8 111.436 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.56 -38.19 77.31 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 121.016 -0.274 . . . . 66.32 111.029 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.93 -33.47 73.78 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.904 -0.318 . . . . 105.03 111.752 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.77 75.35 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.344 -0.543 . . . . 42.02 111.221 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -60.21 -43.68 95.78 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.631 -0.427 . . . . 75.77 111.164 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -59.61 -37.01 77.46 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.649 -0.42 . . . . 66.59 110.847 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 tp -71.73 -31.16 66.4 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 112.102 0.408 . . . . 65.98 112.102 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.0 -44.37 78.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.512 -0.475 . . . . 56.71 110.752 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -66.67 -33.03 74.75 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.904 -0.497 . . . . 103.06 111.414 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -72.17 -44.77 62.54 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.391 -0.524 . . . . 106.3 111.07 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.44 -30.97 72.0 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.62 -0.432 . . . . 76.48 111.703 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.45 -37.01 92.35 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 119.936 -1.126 . . . . 54.04 112.518 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.94 -39.28 72.72 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 122.198 -0.589 . . . . 59.04 110.94 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -66.84 -30.3 70.44 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.971 0.36 . . . . 96.26 111.971 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -75.09 -34.21 61.72 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.81 -0.356 . . . . 55.81 111.292 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.68 -38.51 77.06 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.279 -0.568 . . . . 77.9 111.586 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.13 -23.94 57.93 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.841 0.682 . . . . 129.77 112.841 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.55 -31.62 63.74 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.42 -0.912 . . . . 53.07 110.635 172.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -73.88 -32.45 63.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.707 -0.397 . . . . 67.76 111.356 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.99 -38.43 76.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.83 -0.348 . . . . 77.8 110.952 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -66.26 -35.39 80.29 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.7 -0.4 . . . . 58.55 111.011 175.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.09 -35.26 77.89 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.171 -0.612 . . . . 73.05 111.488 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.53 -30.6 59.81 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.733 -0.387 . . . . 105.03 110.97 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -66.89 -38.05 85.56 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.483 0.182 . . . . 104.96 111.23 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.02 -38.16 69.62 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.683 -0.407 . . . . 67.02 112.004 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.41 -34.68 77.75 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.028 -0.669 . . . . 66.74 111.679 -178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.8 m -67.82 -33.0 73.94 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.187 -0.605 . . . . 71.16 111.55 175.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -70.48 -37.99 74.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.997 -0.281 . . . . 99.91 111.471 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 32.5 mt -65.71 -44.79 93.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.083 0.468 . . . . 51.71 110.761 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.47 -32.77 74.54 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.428 -0.509 . . . . 57.26 111.821 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -74.14 -40.48 62.6 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.356 -0.538 . . . . 92.07 111.535 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -64.8 -34.11 77.57 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.594 -0.442 . . . . 55.36 111.814 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -70.39 -38.04 74.61 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.98 -0.688 . . . . 73.68 111.185 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -63.79 -38.57 91.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.222 -0.591 . . . . 59.97 111.028 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.31 -35.11 77.33 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.198 -0.601 . . . . 86.45 111.437 177.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.12 -43.71 95.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.682 -0.407 . . . . 59.42 110.603 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.29 96.66 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.394 -0.522 . . . . 53.99 111.068 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -64.47 -38.56 91.44 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.398 -0.521 . . . . 71.17 111.311 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.25 -27.12 61.4 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.801 -0.76 . . . . 50.56 111.705 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' LYS . . . . . 0.41 ' NZ ' ' OE1' ' B' ' 141' ' ' GLU . 54.0 mttm -74.67 -30.6 61.65 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.475 -0.49 . . . . 102.95 111.258 177.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -25.87 62.77 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 111.93 0.344 . . . . 94.67 111.93 175.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 48.5 mt -72.53 -40.58 66.66 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.857 -0.737 . . . . 60.34 111.596 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.19 -9.45 10.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 112.907 0.706 . . . . 75.9 112.907 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.1 49.61 26.51 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 118.479 0.581 . . . . 75.86 112.155 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' GLU . . . . . 0.41 ' OE1' ' NZ ' ' B' ' 136' ' ' LYS . 13.2 tt0 . . . . . 0 C--O 1.235 0.306 0 N-CA-C 112.609 0.596 . . . . 74.94 112.609 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . 0.698 ' O ' ' HB2' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_