data_6o8m_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 6o8m _Structure_validation_residue.Date_analyzed 2020-03-27 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 ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.469 0.652 . . . . 112.23 111.336 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.8 ttm -70.41 -31.94 69.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.755 -1.111 . . . . 122.18 112.203 -174.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.67 -51.33 17.06 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.659 -0.416 . . . . 106.28 111.244 -174.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -68.39 -33.77 74.84 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.747 -0.381 . . . . 89.71 111.816 -175.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -73.34 -28.39 62.03 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.047 -0.408 . . . . 72.03 111.052 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -28.47 63.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.501 -0.48 . . . . 59.04 111.38 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -79.23 -40.84 29.65 Favored 'General case' 0 C--O 1.163 -3.485 0 N-CA-C 108.131 -1.062 . . . . 49.39 108.131 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.15 99.55 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.568 -0.453 . . . . 47.62 110.612 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.7 87.38 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.121 -0.632 . . . . 35.28 110.144 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -60.2 -36.99 78.9 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.554 -0.459 . . . . 45.71 110.983 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -70.0 -41.24 74.64 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.567 -0.453 . . . . 51.04 111.706 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.8 tp -56.34 -46.65 79.84 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.013 -1.075 . . . . 31.67 109.847 172.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.32 -36.89 85.6 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 118.916 -1.113 . . . . 37.56 111.118 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' A' ' 301' ' ' HOH . 79.3 mttt -61.23 -40.09 92.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.097 -0.641 . . . . 50.65 111.115 175.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.04 77.08 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.193 -0.603 . . . . 28.39 111.234 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -83.33 -16.42 46.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.483 0.549 . . . . 29.58 112.483 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 53.57 2.8 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 123.15 1.453 . . . . 31.28 111.981 -172.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -155.17 125.1 6.59 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 103.55 -2.759 . . . . 30.59 103.55 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.74 -42.45 88.82 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.192 -0.603 . . . . 51.74 111.73 -170.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -45.66 62.12 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 119.993 -1.098 . . . . 24.13 112.103 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.73 -38.09 88.2 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 118.708 -1.197 . . . . 25.11 111.292 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.82 -42.16 98.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.085 -0.646 . . . . 30.2 111.336 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.8 mmm -64.72 -41.21 96.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.279 -0.968 . . . . 46.55 111.445 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.68 -50.04 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.045 -0.662 . . . . 21.23 110.075 173.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -61.73 -38.36 87.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.771 -0.771 . . . . 19.97 111.51 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 m -63.79 -39.31 93.95 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.013 -0.675 . . . . 21.37 111.169 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -66.8 -39.93 87.91 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.374 -0.931 . . . . 38.2 111.28 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.28 -20.26 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.187 -0.605 . . . . 22.57 111.822 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -17.42 64.64 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.5 0.555 . . . . 25.17 112.5 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.0 p -96.23 -0.76 49.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.239 0.459 . . . . 23.96 112.239 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.03 170.22 12.26 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-O 122.652 1.14 . . . . 23.75 112.103 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.71 139.78 55.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.858 -1.171 . . . . 33.63 111.22 -178.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -134.89 138.8 44.47 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.514 -0.766 . . . . 26.89 109.99 -177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.7 p -72.1 158.61 35.61 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.355 -0.938 . . . . 32.57 109.778 171.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.62 -41.02 78.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 119.665 -0.814 . . . . 32.4 110.905 172.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -44.42 88.76 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.208 -0.997 . . . . 53.77 111.038 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.42 -44.3 94.99 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.354 -0.938 . . . . 37.33 110.934 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.38 -47.24 84.49 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.589 -0.844 . . . . 31.77 110.972 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.36 -31.05 69.21 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.137 -1.025 . . . . 45.99 111.803 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.8 m -61.27 -40.59 94.68 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.462 -0.895 . . . . 47.07 111.041 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -80.8 -31.08 35.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.957 -0.464 . . . . 47.7 112.067 -176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.59 145.91 25.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.345 0.593 . . . . 36.56 111.154 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 p -89.01 -11.4 44.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.722 -0.672 . . . . 52.88 111.936 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -53.88 145.17 16.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.448 0.642 . . . . 46.61 111.772 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 150.16 49.03 Favored 'General case' 0 C--O 1.188 -2.145 0 C-N-CA 127.667 2.387 . . . . 36.02 107.812 175.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -64.53 -40.22 95.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 118.832 0.742 . . . . 51.15 112.11 -168.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.16 86.55 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.888 -0.725 . . . . 31.0 110.814 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.07 -45.43 73.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.637 -0.425 . . . . 24.98 110.899 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.42 -39.94 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 C-N-CA 120.136 -0.626 . . . . 31.13 109.81 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 m -64.59 -44.55 90.28 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.153 -0.619 . . . . 34.9 110.918 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -64.66 -39.25 93.36 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 118.616 -1.233 . . . . 33.61 111.156 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.46 -43.18 91.14 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.713 0.292 . . . . 24.11 110.724 -176.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.21 -41.31 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.109 -0.636 . . . . 22.99 110.93 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.6 98.19 Favored 'General case' 0 C--O 1.232 0.153 0 O-C-N 122.099 -0.376 . . . . 18.38 110.582 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.76 -46.39 85.5 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.924 0.392 . . . . 28.93 111.42 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.34 -36.35 79.93 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.928 -0.483 . . . . 20.12 110.866 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -65.89 -48.96 69.73 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.326 -0.549 . . . . 22.37 110.923 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -53.22 -40.81 64.79 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.966 0.412 . . . . 37.72 111.075 179.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -75.81 -3.98 38.09 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 112.575 0.583 . . . . 28.5 112.575 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.22 14.37 79.05 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.824 -0.703 . . . . 23.42 113.776 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -92.84 -25.51 18.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 112.876 0.695 . . . . 24.65 112.876 -171.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.91 155.95 41.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.486 -0.931 . . . . 20.48 108.486 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.81 170.52 15.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.421 -1.696 . . . . 47.35 106.421 171.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -148.77 160.01 43.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 118.709 -1.197 . . . . 21.84 110.339 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -138.89 159.28 42.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.213 -1.358 . . . . 36.69 109.134 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -108.22 135.07 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.228 -1.027 . . . . 55.77 108.228 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -131.68 106.07 7.92 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.731 -2.322 . . . . 46.54 104.731 171.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.42 -120.38 19.11 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 118.9 -1.619 . . . . 42.88 109.517 -174.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -106.45 9.48 31.67 Favored 'General case' 0 C--O 1.177 -2.712 0 O-C-N 121.963 -0.728 . . . . 39.53 109.651 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 m -98.61 138.39 35.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.706 -0.479 . . . . 38.83 109.706 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.1 mm -106.46 120.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.818 -1.178 . . . . 25.71 107.818 172.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -106.97 124.16 49.22 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.243 0.617 . . . . 45.12 110.004 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.71 150.47 21.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.039 0.447 . . . . 20.85 110.271 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.9 p -149.18 161.85 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.848 -0.797 . . . . 28.47 108.848 175.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.23 139.18 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.839 . . . . 29.46 109.927 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 p -118.98 -22.82 7.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.479 1.288 . . . . 42.85 114.479 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -101.56 113.96 65.74 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 107.562 -1.273 . . . . 31.12 107.562 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 -25.94 36.56 Favored 'Trans proline' 0 C--O 1.239 0.528 0 CA-C-N 119.44 0.836 . . . . 35.16 113.713 -175.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -64.92 -46.85 79.91 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.296 -0.961 . . . . 44.62 109.638 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.8 88.8 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.153 -0.476 . . . . 24.64 110.676 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.92 86.55 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.817 -0.753 . . . . 24.7 110.311 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -69.94 -39.41 76.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 119.633 -0.827 . . . . 44.51 110.755 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.7 -47.28 89.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.415 -0.514 . . . . 19.37 110.315 176.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.49 -37.7 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 O-C-N 121.92 -0.487 . . . . 21.24 110.672 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -62.21 -37.66 86.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.125 -1.03 . . . . 23.48 111.256 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.6 m -67.44 -44.02 79.73 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.312 -0.955 . . . . 20.65 110.914 176.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.31 -48.41 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.336 0.588 . . . . 21.71 110.477 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -62.29 -45.69 92.13 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.427 -0.352 . . . . 22.83 110.846 -176.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.08 -46.44 81.12 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.289 -0.564 . . . . 25.49 111.341 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -69.04 -44.09 73.36 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.182 -0.607 . . . . 25.54 111.394 -175.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -85.85 -17.0 36.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 113.394 0.887 . . . . 27.77 113.394 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.85 -6.65 58.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.844 -1.542 . . . . 29.21 111.901 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.3 m -79.85 133.96 36.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.093 -0.706 . . . . 31.19 109.093 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.78 174.28 54.84 Favored Glycine 0 C--N 1.308 -0.986 0 O-C-N 124.693 1.246 . . . . 39.18 110.501 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 115.425 -2.226 . . . . 88.9 107.863 -178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' LSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.469 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.469 0.652 . . . . 94.73 111.336 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.8 ttm -70.41 -31.94 69.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.755 -1.111 . . . . 101.82 112.203 -174.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.67 -51.33 17.06 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.659 -0.416 . . . . 88.57 111.244 -174.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -68.39 -33.77 74.84 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.747 -0.381 . . . . 74.75 111.816 -175.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -73.34 -28.39 62.03 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.047 -0.408 . . . . 60.03 111.052 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -28.47 63.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.501 -0.48 . . . . 49.2 111.38 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -79.23 -40.84 29.65 Favored 'General case' 0 C--O 1.163 -3.485 0 N-CA-C 108.131 -1.062 . . . . 41.16 108.131 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.15 99.55 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.568 -0.453 . . . . 39.68 110.612 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.7 87.38 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.121 -0.632 . . . . 29.4 110.144 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -60.2 -36.99 78.9 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.554 -0.459 . . . . 38.09 110.983 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -70.0 -41.24 74.64 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.567 -0.453 . . . . 42.53 111.706 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.8 tp -56.34 -46.65 79.84 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.013 -1.075 . . . . 26.39 109.847 172.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.32 -36.89 85.6 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 118.916 -1.113 . . . . 31.3 111.118 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' ' 301' ' ' HOH . 79.3 mttt -61.23 -40.09 92.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.097 -0.641 . . . . 42.2 111.115 175.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.04 77.08 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.193 -0.603 . . . . 25.55 111.234 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -83.33 -16.42 46.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.483 0.549 . . . . 24.65 112.483 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 53.57 2.8 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 123.15 1.453 . . . . 27.51 111.981 -172.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -155.17 125.1 6.59 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 103.55 -2.759 . . . . 25.49 103.55 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.74 -42.45 88.82 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.192 -0.603 . . . . 51.74 111.73 -170.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -45.66 62.12 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 119.993 -1.098 . . . . 20.11 112.103 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.73 -38.09 88.2 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 118.708 -1.197 . . . . 20.92 111.292 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.82 -42.16 98.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.085 -0.646 . . . . 25.17 111.336 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.8 mmm -64.72 -41.21 96.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.279 -0.968 . . . . 38.79 111.445 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.68 -50.04 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.045 -0.662 . . . . 17.7 110.075 173.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -61.73 -38.36 87.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.771 -0.771 . . . . 16.65 111.51 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 m -63.79 -39.31 93.95 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.013 -0.675 . . . . 18.97 111.169 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -66.8 -39.93 87.91 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.374 -0.931 . . . . 31.83 111.28 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.28 -20.26 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.187 -0.605 . . . . 18.81 111.822 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -17.42 64.64 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.5 0.555 . . . . 20.98 112.5 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.0 p -96.23 -0.76 49.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.239 0.459 . . . . 21.34 112.239 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.03 170.22 12.26 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-O 122.652 1.14 . . . . 19.79 112.103 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.71 139.78 55.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.858 -1.171 . . . . 31.26 111.22 -178.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -134.89 138.8 44.47 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.514 -0.766 . . . . 22.41 109.99 -177.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.7 p -72.1 158.61 35.61 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.355 -0.938 . . . . 27.15 109.778 171.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.62 -41.02 78.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 119.665 -0.814 . . . . 27.0 110.905 172.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -44.42 88.76 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.208 -0.997 . . . . 44.81 111.038 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.42 -44.3 94.99 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.354 -0.938 . . . . 35.32 110.934 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.38 -47.24 84.49 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.589 -0.844 . . . . 31.55 110.972 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.36 -31.05 69.21 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.137 -1.025 . . . . 45.99 111.803 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.8 m -61.27 -40.59 94.68 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.462 -0.895 . . . . 39.23 111.041 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -80.8 -31.08 35.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.957 -0.464 . . . . 39.75 112.067 -176.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.59 145.91 25.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.345 0.593 . . . . 36.56 111.154 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 p -89.01 -11.4 44.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.722 -0.672 . . . . 44.07 111.936 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 63' ' ' ALA . 3.1 m -53.88 145.17 16.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.448 0.642 . . . . 38.84 111.772 177.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 150.16 49.03 Favored 'General case' 0 C--O 1.188 -2.145 0 C-N-CA 127.667 2.387 . . . . 30.01 107.812 175.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -64.53 -40.22 95.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 118.832 0.742 . . . . 43.29 112.11 -168.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.16 86.55 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.888 -0.725 . . . . 25.84 110.814 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -68.07 -45.43 73.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.637 -0.425 . . . . 20.82 110.899 179.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.42 -39.94 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 C-N-CA 120.136 -0.626 . . . . 25.94 109.81 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 m -64.59 -44.55 90.28 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.153 -0.619 . . . . 29.08 110.918 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -64.66 -39.25 93.36 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 118.616 -1.233 . . . . 33.1 111.156 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.46 -43.18 91.14 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.713 0.292 . . . . 20.86 110.724 -176.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.21 -41.31 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.109 -0.636 . . . . 19.16 110.93 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.6 98.19 Favored 'General case' 0 C--O 1.232 0.153 0 O-C-N 122.099 -0.376 . . . . 15.32 110.582 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.76 -46.39 85.5 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.924 0.392 . . . . 24.1 111.42 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.34 -36.35 79.93 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.928 -0.483 . . . . 16.77 110.866 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -65.89 -48.96 69.73 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.326 -0.549 . . . . 18.64 110.923 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -53.22 -40.81 64.79 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.966 0.412 . . . . 31.43 111.075 179.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -75.81 -3.98 38.09 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 112.575 0.583 . . . . 28.5 112.575 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.22 14.37 79.05 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.824 -0.703 . . . . 22.03 113.776 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -92.84 -25.51 18.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 112.876 0.695 . . . . 20.55 112.876 -171.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.91 155.95 41.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.486 -0.931 . . . . 17.71 108.486 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.81 170.52 15.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.421 -1.696 . . . . 39.46 106.421 171.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -148.77 160.01 43.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 118.709 -1.197 . . . . 19.99 110.339 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -138.89 159.28 42.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.213 -1.358 . . . . 30.58 109.134 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -108.22 135.07 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.228 -1.027 . . . . 46.47 108.228 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -131.68 106.07 7.92 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.731 -2.322 . . . . 46.54 104.731 171.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.42 -120.38 19.11 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 118.9 -1.619 . . . . 35.73 109.517 -174.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -106.45 9.48 31.67 Favored 'General case' 0 C--O 1.177 -2.712 0 O-C-N 121.963 -0.728 . . . . 32.94 109.651 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 m -98.61 138.39 35.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.706 -0.479 . . . . 32.36 109.706 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.1 mm -106.46 120.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.818 -1.178 . . . . 21.42 107.818 172.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -106.97 124.16 49.22 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.243 0.617 . . . . 37.6 110.004 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.71 150.47 21.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.039 0.447 . . . . 17.49 110.271 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.9 p -149.18 161.85 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.848 -0.797 . . . . 23.73 108.848 175.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.23 139.18 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.839 . . . . 24.55 109.927 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 p -118.98 -22.82 7.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.479 1.288 . . . . 42.85 114.479 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -101.56 113.96 65.74 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 107.562 -1.273 . . . . 31.12 107.562 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 -25.94 36.56 Favored 'Trans proline' 0 C--O 1.239 0.528 0 CA-C-N 119.44 0.836 . . . . 29.3 113.713 -175.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -64.92 -46.85 79.91 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.296 -0.961 . . . . 37.18 109.638 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.8 88.8 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.153 -0.476 . . . . 20.53 110.676 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.92 86.55 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.817 -0.753 . . . . 20.59 110.311 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -69.94 -39.41 76.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 119.633 -0.827 . . . . 37.09 110.755 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.7 -47.28 89.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.415 -0.514 . . . . 16.14 110.315 176.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.49 -37.7 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 O-C-N 121.92 -0.487 . . . . 17.7 110.672 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -62.21 -37.66 86.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.125 -1.03 . . . . 21.42 111.256 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.6 m -67.44 -44.02 79.73 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.312 -0.955 . . . . 17.21 110.914 176.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.31 -48.41 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.336 0.588 . . . . 18.09 110.477 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -62.29 -45.69 92.13 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.427 -0.352 . . . . 19.24 110.846 -176.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.08 -46.44 81.12 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.289 -0.564 . . . . 25.49 111.341 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -69.04 -44.09 73.36 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.182 -0.607 . . . . 22.41 111.394 -175.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -85.85 -17.0 36.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 113.394 0.887 . . . . 24.57 113.394 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.85 -6.65 58.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.844 -1.542 . . . . 26.91 111.901 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.3 m -79.85 133.96 36.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.093 -0.706 . . . . 31.19 109.093 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.78 174.28 54.84 Favored Glycine 0 C--N 1.308 -0.986 0 O-C-N 124.693 1.246 . . . . 34.53 110.501 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 115.425 -2.226 . . . . 74.93 107.863 -178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' LSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.451 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.469 0.652 . . . . 94.73 111.336 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.8 ttm -70.41 -31.94 69.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 114.755 -1.111 . . . . 101.82 112.203 -174.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.67 -51.33 17.06 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.659 -0.416 . . . . 88.57 111.244 -174.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -68.39 -33.77 74.84 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.747 -0.381 . . . . 74.75 111.816 -175.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -73.34 -28.39 62.03 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.047 -0.408 . . . . 60.03 111.052 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -28.47 63.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.501 -0.48 . . . . 49.2 111.38 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -79.23 -40.84 29.65 Favored 'General case' 0 C--O 1.163 -3.485 0 N-CA-C 108.131 -1.062 . . . . 41.16 108.131 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.15 99.55 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.568 -0.453 . . . . 39.68 110.612 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.7 87.38 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.121 -0.632 . . . . 29.4 110.144 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -60.2 -36.99 78.9 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.554 -0.459 . . . . 38.09 110.983 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -70.0 -41.24 74.64 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.567 -0.453 . . . . 42.53 111.706 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.8 tp -56.34 -46.65 79.84 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.013 -1.075 . . . . 26.39 109.847 172.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.32 -36.89 85.6 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 118.916 -1.113 . . . . 31.3 111.118 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' ' 301' ' ' HOH . 79.3 mttt -61.23 -40.09 92.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.097 -0.641 . . . . 42.2 111.115 175.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.04 77.08 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.193 -0.603 . . . . 25.55 111.234 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -83.33 -16.42 46.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.483 0.549 . . . . 24.65 112.483 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 53.57 2.8 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 123.15 1.453 . . . . 27.51 111.981 -172.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -155.17 125.1 6.59 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 103.55 -2.759 . . . . 25.49 103.55 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.74 -42.45 88.82 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.192 -0.603 . . . . 51.74 111.73 -170.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -45.66 62.12 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 119.993 -1.098 . . . . 20.11 112.103 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.73 -38.09 88.2 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 118.708 -1.197 . . . . 20.92 111.292 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.82 -42.16 98.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.085 -0.646 . . . . 25.17 111.336 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.8 mmm -64.72 -41.21 96.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.279 -0.968 . . . . 38.79 111.445 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.68 -50.04 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.045 -0.662 . . . . 17.7 110.075 173.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -61.73 -38.36 87.62 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.771 -0.771 . . . . 16.65 111.51 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 m -63.79 -39.31 93.95 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.013 -0.675 . . . . 18.97 111.169 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -66.8 -39.93 87.91 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.374 -0.931 . . . . 31.83 111.28 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.28 -20.26 62.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.187 -0.605 . . . . 18.81 111.822 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -17.42 64.64 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.5 0.555 . . . . 20.98 112.5 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.0 p -96.23 -0.76 49.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.239 0.459 . . . . 21.34 112.239 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.03 170.22 12.26 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-O 122.652 1.14 . . . . 19.79 112.103 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.71 139.78 55.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 113.858 -1.171 . . . . 31.26 111.22 -178.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -134.89 138.8 44.47 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.514 -0.766 . . . . 22.41 109.99 -177.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.7 p -72.1 158.61 35.61 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.355 -0.938 . . . . 27.15 109.778 171.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.62 -41.02 78.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 119.665 -0.814 . . . . 27.0 110.905 172.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -44.42 88.76 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.208 -0.997 . . . . 44.81 111.038 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.42 -44.3 94.99 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.354 -0.938 . . . . 35.32 110.934 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.38 -47.24 84.49 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.589 -0.844 . . . . 31.55 110.972 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.36 -31.05 69.21 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.137 -1.025 . . . . 45.99 111.803 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.8 m -61.27 -40.59 94.68 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.462 -0.895 . . . . 39.23 111.041 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -80.8 -31.08 35.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.957 -0.464 . . . . 39.75 112.067 -176.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.59 145.91 25.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.345 0.593 . . . . 36.56 111.154 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 p -89.01 -11.4 44.33 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.722 -0.672 . . . . 44.07 111.936 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 63' ' ' ALA . 3.1 m -53.88 145.17 16.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.448 0.642 . . . . 38.84 111.772 177.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 150.16 49.03 Favored 'General case' 0 C--O 1.188 -2.145 0 C-N-CA 127.667 2.387 . . . . 30.01 107.812 175.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -64.53 -40.22 95.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 118.832 0.742 . . . . 43.29 112.11 -168.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.59 -38.16 86.55 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.888 -0.725 . . . . 25.84 110.814 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -68.07 -45.43 73.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.637 -0.425 . . . . 20.82 110.899 179.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.42 -39.94 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 C-N-CA 120.136 -0.626 . . . . 25.94 109.81 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 m -64.59 -44.55 90.28 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.153 -0.619 . . . . 29.08 110.918 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -64.66 -39.25 93.36 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 118.616 -1.233 . . . . 33.1 111.156 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.46 -43.18 91.14 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.713 0.292 . . . . 20.86 110.724 -176.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.21 -41.31 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.109 -0.636 . . . . 19.16 110.93 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.6 98.19 Favored 'General case' 0 C--O 1.232 0.153 0 O-C-N 122.099 -0.376 . . . . 15.32 110.582 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.76 -46.39 85.5 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.924 0.392 . . . . 24.1 111.42 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.34 -36.35 79.93 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.928 -0.483 . . . . 16.77 110.866 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -65.89 -48.96 69.73 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.326 -0.549 . . . . 18.64 110.923 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -53.22 -40.81 64.79 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.966 0.412 . . . . 31.43 111.075 179.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -75.81 -3.98 38.09 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 112.575 0.583 . . . . 28.5 112.575 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.22 14.37 79.05 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.824 -0.703 . . . . 22.03 113.776 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -92.84 -25.51 18.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 112.876 0.695 . . . . 20.55 112.876 -171.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.91 155.95 41.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.486 -0.931 . . . . 17.71 108.486 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -132.81 170.52 15.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.421 -1.696 . . . . 39.46 106.421 171.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -148.77 160.01 43.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 118.709 -1.197 . . . . 19.99 110.339 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -138.89 159.28 42.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.213 -1.358 . . . . 30.58 109.134 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -108.22 135.07 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.228 -1.027 . . . . 46.47 108.228 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -131.68 106.07 7.92 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.731 -2.322 . . . . 46.54 104.731 171.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.42 -120.38 19.11 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 118.9 -1.619 . . . . 35.73 109.517 -174.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -106.45 9.48 31.67 Favored 'General case' 0 C--O 1.177 -2.712 0 O-C-N 121.963 -0.728 . . . . 32.94 109.651 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 m -98.61 138.39 35.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.706 -0.479 . . . . 32.36 109.706 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.1 mm -106.46 120.82 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 107.818 -1.178 . . . . 21.42 107.818 172.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -106.97 124.16 49.22 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.243 0.617 . . . . 37.6 110.004 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.71 150.47 21.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.039 0.447 . . . . 17.49 110.271 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.9 p -149.18 161.85 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.848 -0.797 . . . . 23.73 108.848 175.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.23 139.18 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.353 -0.839 . . . . 24.55 109.927 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 p -118.98 -22.82 7.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.479 1.288 . . . . 42.85 114.479 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -101.56 113.96 65.74 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 107.562 -1.273 . . . . 31.12 107.562 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -68.2 -25.94 36.56 Favored 'Trans proline' 0 C--O 1.239 0.528 0 CA-C-N 119.44 0.836 . . . . 29.3 113.713 -175.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -64.92 -46.85 79.91 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.296 -0.961 . . . . 37.18 109.638 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.8 88.8 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.153 -0.476 . . . . 20.53 110.676 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.92 86.55 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.817 -0.753 . . . . 20.59 110.311 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -69.94 -39.41 76.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 119.633 -0.827 . . . . 37.09 110.755 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.7 -47.28 89.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.415 -0.514 . . . . 16.14 110.315 176.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.49 -37.7 80.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 O-C-N 121.92 -0.487 . . . . 17.7 110.672 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -62.21 -37.66 86.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 119.125 -1.03 . . . . 21.42 111.256 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.6 m -67.44 -44.02 79.73 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.312 -0.955 . . . . 17.21 110.914 176.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.31 -48.41 79.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.336 0.588 . . . . 18.09 110.477 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -62.29 -45.69 92.13 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.427 -0.352 . . . . 19.24 110.846 -176.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.08 -46.44 81.12 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.289 -0.564 . . . . 25.49 111.341 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -69.04 -44.09 73.36 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.182 -0.607 . . . . 22.41 111.394 -175.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -85.85 -17.0 36.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 113.394 0.887 . . . . 24.57 113.394 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 60.2 m -87.85 -6.65 58.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.844 -1.542 . . . . 26.91 111.901 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.3 m -79.85 133.96 36.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.093 -0.706 . . . . 31.19 109.093 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.78 174.28 54.84 Favored Glycine 0 C--N 1.308 -0.986 0 O-C-N 124.693 1.246 . . . . 34.53 110.501 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 115.425 -2.226 . . . . 74.93 107.863 -178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' LSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.451 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_