data_6keg_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 6keg _Structure_validation_residue.Date_analyzed 2020-07-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 112.934 0.716 . . . . 75.68 112.934 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 mtp -37.2 143.26 0.09 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-N 117.934 0.333 . . . . 95.15 110.356 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -85.24 119.52 72.46 Favored Pre-proline 0 C--O 1.241 0.638 0 C-N-CA 119.624 -0.83 . . . . 58.79 110.703 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -55.1 171.65 0.49 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 120.968 1.112 . . . . 48.76 110.226 174.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.11 140.36 22.43 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 120.269 0.646 . . . . 48.26 110.615 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.77 161.08 4.87 Favored 'Trans proline' 0 C--N 1.326 -0.616 0 C-N-CA 120.915 1.077 . . . . 47.77 111.57 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.49 151.49 61.5 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 N-CA-C 109.596 -0.963 . . . . 44.18 109.596 165.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.02 155.56 40.19 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-O 121.405 0.621 . . . . 55.4 110.87 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.3 p -121.08 -16.24 8.06 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.266 1.21 . . . . 53.15 114.266 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -137.87 149.49 46.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.528 -0.916 . . . . 48.65 108.528 171.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . 0.429 ' O ' ' NZ ' ' A' ' 57' ' ' LYS . 47.5 t-20 -153.22 99.12 2.7 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 106.793 -1.558 . . . . 57.01 106.793 -171.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.14 -42.27 60.36 Favored 'Trans proline' 0 C--O 1.238 0.52 0 N-CA-C 113.851 0.673 . . . . 51.64 113.851 -173.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.1 p30 -89.78 18.93 5.1 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.845 1.054 . . . . 84.41 113.845 -176.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -103.06 130.87 22.82 Favored Pre-proline 0 C--N 1.367 1.349 0 C-N-CA 113.976 -3.09 . . . . 56.74 110.21 174.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -55.39 125.11 18.04 Favored 'Trans proline' 0 C--N 1.329 -0.485 0 CA-C-N 119.113 0.719 . . . . 52.19 110.88 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 52' ' ' ASN . 13.2 mmtm -112.58 156.28 22.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.654 0.74 . . . . 56.26 109.738 -179.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -161.7 143.28 11.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.652 -0.87 . . . . 53.87 108.652 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . . . -112.55 111.14 21.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.775 -1.565 . . . . 60.3 106.775 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -108.32 166.91 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.281 -0.637 . . . . 56.86 109.281 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.73 -43.24 94.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 118.225 -1.39 . . . . 78.24 110.209 174.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.83 -39.75 94.98 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.327 -0.549 . . . . 65.79 111.648 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.05 -38.57 91.28 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.286 -0.966 . . . . 54.47 110.62 178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -57.5 -40.21 78.17 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.906 -0.718 . . . . 73.81 110.225 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -68.39 -39.87 81.55 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.785 -0.366 . . . . 57.21 110.795 -178.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' LEU . 15.6 mt -58.89 -36.25 74.36 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.006 -0.678 . . . . 53.42 110.693 -178.568 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 17.8 tp -78.59 -54.22 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 118.249 -1.381 . . . . 55.06 110.957 176.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -33.68 73.55 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.076 0.398 . . . . 75.52 112.076 -165.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.33 -43.56 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.677 -0.639 . . . . 58.09 111.906 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.6 t -85.12 -55.85 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 119.5 -0.88 . . . . 52.84 110.067 -171.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 66' ' ' LEU . 2.2 tp -62.0 -44.76 96.03 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.462 -1.295 . . . . 57.84 111.377 -179.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtpt -81.01 -5.21 57.32 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.219 0.822 . . . . 74.79 113.219 -169.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -26.66 14.23 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 118.678 0.672 . . . . 67.06 112.798 170.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -41.33 71.2 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.041 -0.664 . . . . 55.54 110.084 170.59 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -45.9 -45.67 15.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.7 0.8 . . . . 59.18 112.523 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.63 -17.85 55.4 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.114 0.783 . . . . 57.0 113.114 -172.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -49.42 154.73 0.85 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.758 0.789 . . . . 54.27 111.413 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -67.72 -26.48 66.17 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.736 -0.665 . . . . 56.06 111.68 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -98.96 15.66 24.97 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.85 0.685 . . . . 60.26 112.85 -178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.88 61.07 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.335 -0.946 . . . . 46.75 112.294 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -49.48 -43.45 71.63 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 114.35 1.241 . . . . 51.55 114.35 -164.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -60.56 -22.09 71.04 Favored 'Trans proline' 0 CA--C 1.508 -0.807 0 CA-C-N 121.57 1.596 . . . . 49.45 112.974 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -106.66 12.34 29.39 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.232 0.613 . . . . 44.24 112.386 -172.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -88.82 2.01 54.31 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.182 0.808 . . . . 61.35 113.182 -175.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.46 174.16 4.17 Favored Pre-proline 0 C--O 1.244 0.77 0 N-CA-C 107.38 -1.341 . . . . 54.35 107.38 174.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -62.99 153.61 72.46 Favored 'Trans proline' 0 C--N 1.331 -0.375 0 N-CA-C 110.222 -0.722 . . . . 43.6 110.222 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -71.56 127.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.758 -0.83 . . . . 53.9 108.758 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -89.91 89.72 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 106.504 -1.665 . . . . 49.48 106.504 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -19.0 50.09 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.716 -1.194 . . . . 50.7 110.974 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 37.1 t -75.33 -56.09 9.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 121.055 -0.258 . . . . 54.94 110.782 176.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -57.9 -43.15 85.98 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 118.59 -1.244 . . . . 50.97 110.593 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' CD2' ' O23' ' A' ' 201' ' ' D89 . 1.5 mm? -78.43 -11.57 59.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.496 1.118 . . . . 52.22 113.496 -177.695 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.5 m120 59.79 54.16 4.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.061 0.934 . . . . 63.46 111.272 -178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.87 71.06 40.66 Favored Pre-proline 0 C--O 1.24 0.586 0 N-CA-C 107.595 -1.261 . . . . 56.37 107.595 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -60.76 -11.56 18.13 Favored 'Trans proline' 0 CA--C 1.505 -0.941 0 CA-C-O 118.742 -0.607 . . . . 53.34 113.324 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . 0.498 ' OD2' ' OH ' ' A' ' 139' ' ' TYR . 35.1 p-10 -96.31 -7.43 35.34 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.578 0.955 . . . . 51.21 113.578 -179.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -54.26 -60.71 2.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.381 -0.928 . . . . 46.66 110.966 -174.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -73.08 -0.73 14.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.681 0.623 . . . . 44.41 112.681 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.76 -16.03 33.21 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.148 -1.021 . . . . 61.51 112.151 168.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.77 -39.3 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 122.81 0.444 . . . . 46.34 111.731 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 19.2 mm -89.48 122.11 40.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.12 -1.067 . . . . 42.97 108.12 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -107.96 -23.52 11.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.406 1.262 . . . . 48.95 114.406 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.9 p -116.19 90.43 28.97 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 107.861 -1.163 . . . . 52.69 107.861 171.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -74.82 153.08 42.46 Favored 'Trans proline' 0 CA--C 1.511 -0.644 0 CA-C-O 121.505 0.544 . . . . 45.38 110.96 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 20.9 tpp -161.76 144.46 11.89 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.531 -0.915 . . . . 43.95 108.531 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -155.64 159.67 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.709 -0.848 . . . . 45.79 108.709 -178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 50.0 mtm -67.88 -19.99 65.07 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 118.909 -1.117 . . . . 53.76 111.615 -175.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.13 -46.92 76.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.101 -1.047 . . . . 47.69 111.545 174.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.29 -19.43 58.29 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 117.381 -1.728 . . . . 55.32 111.689 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.33 -50.09 65.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.924 0.784 . . . . 47.9 110.071 168.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -61.37 -34.34 75.15 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.972 -0.691 . . . . 62.96 111.084 -179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -70.87 -37.83 73.09 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.767 -0.773 . . . . 63.86 111.157 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -68.34 -45.9 71.6 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 122.03 -0.418 . . . . 53.65 111.121 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 33.6 mt -54.65 -55.18 32.31 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.185 -0.606 . . . . 57.15 110.599 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.67 -26.2 68.56 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.54 -0.864 . . . . 68.46 111.514 -173.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -87.49 11.5 14.61 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.203 0.816 . . . . 68.8 113.203 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 35.29 41.45 0.08 Allowed 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.875 0.694 . . . . 71.07 112.875 -172.319 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -61.32 -22.37 64.83 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.123 -0.944 . . . . 47.47 112.576 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.47 152.77 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.403 0.621 . . . . 44.84 111.27 -171.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . 0.715 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 75.1 t-105 -87.78 -47.62 8.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.338 -0.846 . . . . 47.59 112.197 171.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -140.65 160.86 39.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.269 1.033 . . . . 45.61 110.793 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.55 -34.77 26.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.86 -1.064 . . . . 45.92 112.417 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . . . -61.19 -40.6 94.54 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.022 -0.671 . . . . 44.09 111.955 -173.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLU . . . . . 0.715 ' OE1' ' N ' ' A' ' 120' ' ' TRP . 0.7 OUTLIER -66.44 -33.38 75.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 117.231 -1.787 . . . . 55.84 111.22 179.313 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.76 -41.24 79.13 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.41 -1.316 . . . . 43.72 110.742 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.35 -33.34 58.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.114 -0.634 . . . . 43.31 110.264 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -31.49 72.58 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 118.774 -1.17 . . . . 63.77 111.917 177.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -71.8 -35.75 70.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 119.106 -1.037 . . . . 43.3 111.042 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.48 -48.37 82.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 118.85 -1.14 . . . . 42.04 110.079 171.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.79 -48.36 75.49 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.758 -0.777 . . . . 59.93 110.87 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -40.29 75.57 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 119.645 -0.822 . . . . 48.86 111.219 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 59.9 ttp -58.77 -48.78 80.05 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.026 -0.67 . . . . 40.99 110.387 -179.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -64.95 -51.26 62.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.842 -0.743 . . . . 40.62 111.505 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 18.9 m -51.23 -47.32 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.158 -0.617 . . . . 55.12 111.287 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -47.65 -50.01 25.82 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.994 -0.682 . . . . 42.35 110.246 175.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' CYS . . . . . 0.477 ' O ' ' ND2' ' A' ' 140' ' ' ASN . 32.3 t -67.36 -31.78 72.26 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.514 -0.474 . . . . 46.2 112.13 -171.167 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -78.88 -17.09 56.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 111.978 0.362 . . . . 51.15 111.978 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 10.1 mt -85.87 -53.11 11.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 C-N-CA 120.157 -0.617 . . . . 50.85 110.782 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' TYR . . . . . 0.498 ' OH ' ' OD2' ' A' ' 96' ' ' ASP . 81.7 t80 -68.02 -25.43 65.38 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.239 -0.984 . . . . 55.87 111.061 -177.253 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 136' ' ' CYS . 5.4 m-80 -110.53 176.25 5.11 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.997 -0.742 . . . . 47.21 108.997 -178.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -122.53 162.6 37.33 Favored Pre-proline 0 C--O 1.239 0.513 0 C-N-CA 124.567 1.147 . . . . 55.93 110.422 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.34 141.72 76.12 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 N-CA-C 110.667 -0.551 . . . . 54.9 110.667 -175.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 98.01 -25.06 29.1 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-O 119.128 -0.818 . . . . 50.3 114.463 -177.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -58.47 147.84 30.36 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.422 1.111 . . . . 50.25 110.014 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -63.27 -36.95 85.36 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.766 -0.773 . . . . 60.16 111.378 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.86 -38.69 81.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 119.935 -0.706 . . . . 44.98 109.897 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.31 -42.31 86.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 O-C-N 122.096 -0.378 . . . . 49.26 110.512 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.86 -42.71 90.04 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.242 -0.983 . . . . 52.07 110.938 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 61.5 mtp -62.74 -40.97 98.89 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.838 -0.745 . . . . 53.4 110.819 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.34 -57.31 5.46 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.857 0.361 . . . . 49.06 111.028 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.27 -45.85 8.82 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.085 0.469 . . . . 59.55 109.871 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.95 50.18 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.913 -0.715 . . . . 47.26 110.704 176.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.45 -34.48 74.06 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.216 -0.994 . . . . 54.22 111.537 -176.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.46 -28.89 67.44 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.708 -0.797 . . . . 62.64 111.018 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -68.94 -47.78 64.88 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.618 0.247 . . . . 67.6 110.797 172.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.75 -41.18 99.08 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 118.742 -1.183 . . . . 55.07 110.378 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -59.86 -49.37 77.95 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.276 -0.265 . . . . 47.79 110.691 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.77 -35.34 77.85 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.81 -0.756 . . . . 61.2 111.636 -178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -68.25 -37.87 81.2 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 122.083 -0.386 . . . . 64.47 111.504 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -74.26 -29.13 61.54 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.187 0.81 . . . . 66.27 113.187 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 7.6 pt -97.5 -1.26 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 118.688 0.676 . . . . 51.14 112.38 -178.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.49 -33.57 45.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.951 -0.7 . . . . 61.71 111.099 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -131.38 103.28 6.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.384 -0.598 . . . . 64.33 109.384 -177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.4 mt -101.26 157.03 34.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 C-N-CA 125.903 1.681 . . . . 57.63 111.16 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -68.34 157.23 62.69 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 C-N-CA 120.525 0.817 . . . . 64.59 112.045 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 2.5 p -84.24 168.78 15.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.848 0.832 . . . . 81.02 110.404 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -96.05 150.72 20.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.403 0.621 . . . . 90.83 110.324 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 122.19 0.995 . . . . 102.44 111.422 179.237 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' D89 . . . . . 0.603 H321 H131 ' A' ' 201' ' ' D89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . 0.543 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 81.3 p . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 112.934 0.716 . . . . 75.680000000000007 112.934 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 mtp -37.2 143.26 0.09 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-N 117.934 0.333 . . . . 95.150000000000006 110.356 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -85.24 119.52 72.46 Favored Pre-proline 0 C--O 1.241 0.638 0 C-N-CA 119.624 -0.83 . . . . 58.789999999999999 110.703 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -55.1 171.65 0.49 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 120.968 1.112 . . . . 48.759999999999998 110.226 174.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.11 140.36 22.43 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 120.269 0.646 . . . . 48.259999999999998 110.615 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.77 161.08 4.87 Favored 'Trans proline' 0 C--N 1.326 -0.616 0 C-N-CA 120.915 1.077 . . . . 47.770000000000003 111.57 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.49 151.49 61.5 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 N-CA-C 109.596 -0.963 . . . . 44.18 109.596 165.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.02 155.56 40.19 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-O 121.405 0.621 . . . . 55.399999999999999 110.87 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.3 p -121.08 -16.24 8.06 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.266 1.21 . . . . 53.149999999999999 114.266 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -137.87 149.49 46.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.528 -0.916 . . . . 48.649999999999999 108.528 171.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -153.22 99.12 2.7 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 106.793 -1.558 . . . . 57.009999999999998 106.793 -171.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.14 -42.27 60.36 Favored 'Trans proline' 0 C--O 1.238 0.52 0 N-CA-C 113.851 0.673 . . . . 51.640000000000001 113.851 -173.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.1 p30 -89.78 18.93 5.1 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.845 1.054 . . . . 84.409999999999997 113.845 -176.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HE2' ' CE2' ' A' ' 118' ' ' TYR . 18.0 ttpp -103.06 130.87 22.82 Favored Pre-proline 0 C--N 1.367 1.349 0 C-N-CA 113.976 -3.09 . . . . 56.740000000000002 110.21 174.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -55.39 125.11 18.04 Favored 'Trans proline' 0 C--N 1.329 -0.485 0 CA-C-N 119.113 0.719 . . . . 52.189999999999998 110.88 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 117' ' ' ASN . 13.2 mmtm -112.58 156.28 22.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.654 0.74 . . . . 56.259999999999998 109.738 -179.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -161.7 143.28 11.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.652 -0.87 . . . . 53.869999999999997 108.652 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . . . -112.55 111.14 21.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.775 -1.565 . . . . 60.299999999999997 106.775 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -108.32 166.91 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.281 -0.637 . . . . 56.859999999999999 109.281 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.73 -43.24 94.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 118.225 -1.39 . . . . 78.239999999999995 110.209 174.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.83 -39.75 94.98 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.327 -0.549 . . . . 65.790000000000006 111.648 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.05 -38.57 91.28 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.286 -0.966 . . . . 54.469999999999999 110.62 178.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -57.5 -40.21 78.17 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.906 -0.718 . . . . 73.810000000000002 110.225 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 75.5 t80 -68.39 -39.87 81.55 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.785 -0.366 . . . . 57.210000000000001 110.795 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.89 -36.25 74.36 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.006 -0.678 . . . . 53.420000000000002 110.693 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . 0.841 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 17.8 tp -78.59 -54.22 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 118.249 -1.381 . . . . 55.060000000000002 110.957 176.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -33.68 73.55 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.076 0.398 . . . . 75.519999999999996 112.076 -165.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . 0.576 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 2.1 t -112.33 -43.56 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.677 -0.639 . . . . 58.090000000000003 111.906 -175.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.6 t -85.12 -55.85 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 119.5 -0.88 . . . . 52.840000000000003 110.067 -171.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . 0.648 HD21 ' HB2' ' A' ' 111' ' ' LYS . 2.2 tp -62.0 -44.76 96.03 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.462 -1.295 . . . . 57.840000000000003 111.377 -179.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtpt -81.01 -5.21 57.32 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.219 0.822 . . . . 74.790000000000006 113.219 -169.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -26.66 14.23 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 118.678 0.672 . . . . 67.060000000000002 112.798 170.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 157' ' ' PHE . 0.3 OUTLIER -70.96 -41.33 71.2 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.041 -0.664 . . . . 55.539999999999999 110.084 170.59 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -45.9 -45.67 15.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.7 0.8 . . . . 59.18 112.523 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.63 -17.85 55.4 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.114 0.783 . . . . 57.0 113.114 -172.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' ND1' HD21 ' A' ' 153' ' ' LEU . 51.3 t-80 -49.42 154.73 0.85 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.758 0.789 . . . . 54.270000000000003 111.413 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -67.72 -26.48 66.17 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.736 -0.665 . . . . 56.060000000000002 111.68 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . 0.689 ' HB3' ' HB3' ' A' ' 149' ' ' MET . 12.0 m-30 -98.96 15.66 24.97 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.85 0.685 . . . . 60.259999999999998 112.85 -178.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.88 61.07 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.335 -0.946 . . . . 46.75 112.294 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . 0.563 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 63.3 p-90 -49.48 -43.45 71.63 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 114.35 1.241 . . . . 51.549999999999997 114.35 -164.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . 0.563 ' HD3' ' CG ' ' A' ' 81' ' ' TRP . 10.3 Cg_exo -60.56 -22.09 71.04 Favored 'Trans proline' 0 CA--C 1.508 -0.807 0 CA-C-N 121.57 1.596 . . . . 49.450000000000003 112.974 -178.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -106.66 12.34 29.39 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.232 0.613 . . . . 44.240000000000002 112.386 -172.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -88.82 2.01 54.31 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.182 0.808 . . . . 61.350000000000001 113.182 -175.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HB2' ' CD ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -160.46 174.16 4.17 Favored Pre-proline 0 C--O 1.244 0.77 0 N-CA-C 107.38 -1.341 . . . . 54.350000000000001 107.38 174.346 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' CD ' ' HB2' ' A' ' 85' ' ' GLN . 17.7 Cg_exo -62.99 153.61 72.46 Favored 'Trans proline' 0 C--N 1.331 -0.375 0 N-CA-C 110.222 -0.722 . . . . 43.600000000000001 110.222 176.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 97' ' ' TYR . 4.1 m -71.56 127.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.758 -0.83 . . . . 53.899999999999999 108.758 177.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . 0.463 ' OD1' ' HB ' ' A' ' 90' ' ' VAL . 39.6 t0 -89.91 89.72 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 106.504 -1.665 . . . . 49.479999999999997 106.504 174.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -19.0 50.09 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.716 -1.194 . . . . 50.700000000000003 110.974 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HB ' ' OD1' ' A' ' 88' ' ' ASP . 37.1 t -75.33 -56.09 9.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 121.055 -0.258 . . . . 54.939999999999998 110.782 176.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -57.9 -43.15 85.98 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 118.59 -1.244 . . . . 50.969999999999999 110.593 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . 0.684 HD21 ' O23' ' A' ' 201' ' ' D89 . 1.5 mm? -78.43 -11.57 59.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.496 1.118 . . . . 52.219999999999999 113.496 -177.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' ' 301' ' ' HOH . 7.5 m120 59.79 54.16 4.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.061 0.934 . . . . 63.460000000000001 111.272 -178.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.87 71.06 40.66 Favored Pre-proline 0 C--O 1.24 0.586 0 N-CA-C 107.595 -1.261 . . . . 56.369999999999997 107.595 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 60.0 Cg_endo -60.76 -11.56 18.13 Favored 'Trans proline' 0 CA--C 1.505 -0.941 0 CA-C-O 118.742 -0.607 . . . . 53.340000000000003 113.324 -177.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' OD2' ' OH ' ' A' ' 139' ' ' TYR . 35.1 p-10 -96.31 -7.43 35.34 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.578 0.955 . . . . 51.210000000000001 113.578 -179.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CZ ' HG13 ' A' ' 101' ' ' ILE . 54.4 t80 -54.26 -60.71 2.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.381 -0.928 . . . . 46.659999999999997 110.966 -174.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' TYR . . . . . 0.453 ' OH ' HG22 ' A' ' 87' ' ' VAL . 56.3 m-85 -73.08 -0.73 14.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.681 0.623 . . . . 44.409999999999997 112.681 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.76 -16.03 33.21 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.148 -1.021 . . . . 61.509999999999998 112.151 168.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG22 HD13 ' A' ' 101' ' ' ILE . 25.1 mt -107.77 -39.3 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 122.81 0.444 . . . . 46.340000000000003 111.731 176.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . 0.541 HG13 ' CZ ' ' A' ' 97' ' ' TYR . 19.2 mm -89.48 122.11 40.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.12 -1.067 . . . . 42.969999999999999 108.12 176.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -107.96 -23.52 11.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.406 1.262 . . . . 48.950000000000003 114.406 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.9 p -116.19 90.43 28.97 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 107.861 -1.163 . . . . 52.689999999999998 107.861 171.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -74.82 153.08 42.46 Favored 'Trans proline' 0 CA--C 1.511 -0.644 0 CA-C-O 121.505 0.544 . . . . 45.380000000000003 110.96 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 20.9 tpp -161.76 144.46 11.89 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.531 -0.915 . . . . 43.950000000000003 108.531 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . 0.622 ' OD2' HG23 ' A' ' 109' ' ' THR . 4.4 p30 -155.64 159.67 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.709 -0.848 . . . . 45.789999999999999 108.709 -178.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 50.0 mtm -67.88 -19.99 65.07 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 118.909 -1.117 . . . . 53.759999999999998 111.615 -175.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.13 -46.92 76.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.101 -1.047 . . . . 47.689999999999998 111.545 174.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . 0.622 HG23 ' OD2' ' A' ' 106' ' ' ASP . 0.6 OUTLIER -76.29 -19.43 58.29 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 117.381 -1.728 . . . . 55.32 111.689 178.174 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . 0.64 HD11 ' HB3' ' A' ' 128' ' ' ASP . 19.3 mm -67.33 -50.09 65.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.924 0.784 . . . . 47.899999999999999 110.071 168.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . 0.648 ' HB2' HD21 ' A' ' 71' ' ' LEU . 5.6 ttpt -61.37 -34.34 75.15 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.972 -0.691 . . . . 62.960000000000001 111.084 -179.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -70.87 -37.83 73.09 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.767 -0.773 . . . . 63.859999999999999 111.157 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 109' ' ' THR . 96.7 mtt180 -68.34 -45.9 71.6 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 122.03 -0.418 . . . . 53.649999999999999 111.121 179.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 33.6 mt -54.65 -55.18 32.31 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.185 -0.606 . . . . 57.149999999999999 110.599 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.67 -26.2 68.56 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.54 -0.864 . . . . 68.459999999999994 111.514 -173.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -87.49 11.5 14.61 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.203 0.816 . . . . 68.799999999999997 113.203 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER 35.29 41.45 0.08 Allowed 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.875 0.694 . . . . 71.069999999999993 112.875 -172.319 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 118' ' ' TYR . . . . . 0.513 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 23.3 t80 -61.32 -22.37 64.83 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.123 -0.944 . . . . 47.469999999999999 112.576 175.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.47 152.77 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.403 0.621 . . . . 44.840000000000003 111.27 -171.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . 0.453 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 75.1 t-105 -87.78 -47.62 8.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.338 -0.846 . . . . 47.590000000000003 112.197 171.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASN . . . . . 0.459 ' OD1' ' HG2' ' A' ' 124' ' ' GLU . 52.1 p30 -140.65 160.86 39.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.269 1.033 . . . . 45.609999999999999 110.793 178.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.55 -34.77 26.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.86 -1.064 . . . . 45.920000000000002 112.417 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . . . -61.19 -40.6 94.54 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.022 -0.671 . . . . 44.090000000000003 111.955 -173.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLU . . . . . 0.459 ' HG2' ' OD1' ' A' ' 121' ' ' ASN . 0.7 OUTLIER -66.44 -33.38 75.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 117.231 -1.787 . . . . 55.840000000000003 111.22 179.313 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.76 -41.24 79.13 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.41 -1.316 . . . . 43.719999999999999 110.742 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.35 -33.34 58.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.114 -0.634 . . . . 43.310000000000002 110.264 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -31.49 72.58 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 118.774 -1.17 . . . . 63.770000000000003 111.917 177.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . 0.64 ' HB3' HD11 ' A' ' 110' ' ' ILE . 74.8 m-20 -71.8 -35.75 70.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 119.106 -1.037 . . . . 43.299999999999997 111.042 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.48 -48.37 82.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 118.85 -1.14 . . . . 42.039999999999999 110.079 171.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.79 -48.36 75.49 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.758 -0.777 . . . . 59.93 110.87 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -40.29 75.57 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 119.645 -0.822 . . . . 48.859999999999999 111.219 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 59.9 ttp -58.77 -48.78 80.05 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.026 -0.67 . . . . 40.990000000000002 110.387 -179.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -64.95 -51.26 62.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.842 -0.743 . . . . 40.619999999999997 111.505 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' THR . . . . . 0.518 ' O ' HG13 ' A' ' 138' ' ' ILE . 18.9 m -51.23 -47.32 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.158 -0.617 . . . . 55.119999999999997 111.287 179.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -47.65 -50.01 25.82 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.994 -0.682 . . . . 42.350000000000001 110.246 175.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 32.3 t -67.36 -31.78 72.26 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.514 -0.474 . . . . 46.200000000000003 112.13 -171.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -78.88 -17.09 56.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 111.978 0.362 . . . . 51.149999999999999 111.978 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 134' ' ' THR . 10.1 mt -85.87 -53.11 11.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 C-N-CA 120.157 -0.617 . . . . 50.850000000000001 110.782 -179.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' TYR . . . . . 0.463 ' HB2' HD11 ' A' ' 101' ' ' ILE . 81.7 t80 -68.02 -25.43 65.38 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.239 -0.984 . . . . 55.869999999999997 111.061 -177.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -110.53 176.25 5.11 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.997 -0.742 . . . . 47.210000000000001 108.997 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -122.53 162.6 37.33 Favored Pre-proline 0 C--O 1.239 0.513 0 C-N-CA 124.567 1.147 . . . . 55.93 110.422 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.34 141.72 76.12 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 N-CA-C 110.667 -0.551 . . . . 54.899999999999999 110.667 -175.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 98.01 -25.06 29.1 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-O 119.128 -0.818 . . . . 50.299999999999997 114.463 -177.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -58.47 147.84 30.36 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.422 1.111 . . . . 50.25 110.014 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 149' ' ' MET . 83.2 m-20 -63.27 -36.95 85.36 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.766 -0.773 . . . . 60.159999999999997 111.378 -175.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.86 -38.69 81.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 119.935 -0.706 . . . . 44.979999999999997 109.897 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.31 -42.31 86.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 O-C-N 122.096 -0.378 . . . . 49.259999999999998 110.512 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.86 -42.71 90.04 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.242 -0.983 . . . . 52.07 110.938 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' MET . . . . . 0.689 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 61.5 mtp -62.74 -40.97 98.89 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.838 -0.745 . . . . 53.399999999999999 110.819 177.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.34 -57.31 5.46 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.857 0.361 . . . . 49.060000000000002 111.028 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.27 -45.85 8.82 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.085 0.469 . . . . 59.549999999999997 109.871 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.95 50.18 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.913 -0.715 . . . . 47.259999999999998 110.704 176.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' LEU . . . . . 0.496 HD21 ' ND1' ' A' ' 77' ' ' HIS . 1.5 mt -60.45 -34.48 74.06 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.216 -0.994 . . . . 54.219999999999999 111.537 -176.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.46 -28.89 67.44 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.708 -0.797 . . . . 62.640000000000001 111.018 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -68.94 -47.78 64.88 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.618 0.247 . . . . 67.599999999999994 110.797 172.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.75 -41.18 99.08 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 118.742 -1.183 . . . . 55.07 110.378 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' PHE . . . . . 0.5 ' HB2' HD21 ' A' ' 74' ' ' LEU . 85.5 t80 -59.86 -49.37 77.95 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.276 -0.265 . . . . 47.789999999999999 110.691 179.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.77 -35.34 77.85 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.81 -0.756 . . . . 61.200000000000003 111.636 -178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -68.25 -37.87 81.2 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 122.083 -0.386 . . . . 64.469999999999999 111.504 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -74.26 -29.13 61.54 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.187 0.81 . . . . 66.269999999999996 113.187 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' A' ' 157' ' ' PHE . 7.6 pt -97.5 -1.26 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 118.688 0.676 . . . . 51.140000000000001 112.38 -178.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.49 -33.57 45.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.951 -0.7 . . . . 61.710000000000001 111.099 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -131.38 103.28 6.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.384 -0.598 . . . . 64.329999999999998 109.384 -177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.4 mt -101.26 157.03 34.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 C-N-CA 125.903 1.681 . . . . 57.630000000000003 111.16 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 24.0 Cg_exo -68.34 157.23 62.69 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 C-N-CA 120.525 0.817 . . . . 64.590000000000003 112.045 177.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 2.5 p -84.24 168.78 15.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.848 0.832 . . . . 81.019999999999996 110.404 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -96.05 150.72 20.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.403 0.621 . . . . 90.829999999999998 110.324 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 122.19 0.995 . . . . 102.44 111.422 179.237 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' D89 . . . . . 0.684 ' O23' HD21 ' A' ' 92' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.538 ' O ' ' HA ' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 42' ' ' SER . . . . . 0.543 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 81.3 p . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 112.934 0.716 . . . . 75.68 112.934 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 mtp -37.2 143.26 0.09 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-N 117.934 0.333 . . . . 95.15 110.356 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -85.24 119.52 72.46 Favored Pre-proline 0 C--O 1.241 0.638 0 C-N-CA 119.624 -0.83 . . . . 58.79 110.703 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -55.1 171.65 0.49 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 120.968 1.112 . . . . 48.76 110.226 174.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.11 140.36 22.43 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 120.269 0.646 . . . . 48.26 110.615 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.77 161.08 4.87 Favored 'Trans proline' 0 C--N 1.326 -0.616 0 C-N-CA 120.915 1.077 . . . . 47.77 111.57 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.49 151.49 61.5 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 N-CA-C 109.596 -0.963 . . . . 44.18 109.596 165.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.02 155.56 40.19 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-O 121.405 0.621 . . . . 55.4 110.87 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.3 p -121.08 -16.24 8.06 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.266 1.21 . . . . 53.15 114.266 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -137.87 149.49 46.31 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.528 -0.916 . . . . 48.65 108.528 171.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -153.22 99.12 2.7 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 106.793 -1.558 . . . . 57.01 106.793 -171.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.14 -42.27 60.36 Favored 'Trans proline' 0 C--O 1.238 0.52 0 N-CA-C 113.851 0.673 . . . . 51.64 113.851 -173.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.1 p30 -89.78 18.93 5.1 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.845 1.054 . . . . 84.41 113.845 -176.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HE2' ' CE2' ' A' ' 118' ' ' TYR . 18.0 ttpp -103.06 130.87 22.82 Favored Pre-proline 0 C--N 1.367 1.349 0 C-N-CA 113.976 -3.09 . . . . 56.74 110.21 174.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -55.39 125.11 18.04 Favored 'Trans proline' 0 C--N 1.329 -0.485 0 CA-C-N 119.113 0.719 . . . . 52.19 110.88 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 117' ' ' ASN . 13.2 mmtm -112.58 156.28 22.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.654 0.74 . . . . 56.26 109.738 -179.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -161.7 143.28 11.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.652 -0.87 . . . . 53.87 108.652 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . . . -112.55 111.14 21.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.775 -1.565 . . . . 60.3 106.775 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -108.32 166.91 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.281 -0.637 . . . . 56.86 109.281 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.73 -43.24 94.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 118.225 -1.39 . . . . 78.24 110.209 174.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.83 -39.75 94.98 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.327 -0.549 . . . . 65.79 111.648 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 mt -65.05 -38.57 91.28 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.286 -0.966 . . . . 54.47 110.62 178.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -57.5 -40.21 78.17 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.906 -0.718 . . . . 73.81 110.225 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 75.5 t80 -68.39 -39.87 81.55 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.785 -0.366 . . . . 57.21 110.795 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.6 mt -58.89 -36.25 74.36 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.006 -0.678 . . . . 53.42 110.693 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.841 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 17.8 tp -78.59 -54.22 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 118.249 -1.381 . . . . 55.06 110.957 176.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -33.68 73.55 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.076 0.398 . . . . 75.52 112.076 -165.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.576 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 2.1 t -112.33 -43.56 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.677 -0.639 . . . . 58.09 111.906 -175.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.6 t -85.12 -55.85 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 119.5 -0.88 . . . . 52.84 110.067 -171.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.648 HD21 ' HB2' ' A' ' 111' ' ' LYS . 2.2 tp -62.0 -44.76 96.03 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.462 -1.295 . . . . 57.84 111.377 -179.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 67' ' ' LEU . 1.6 mtpt -81.01 -5.21 57.32 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.219 0.822 . . . . 74.79 113.219 -169.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -26.66 14.23 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 118.678 0.672 . . . . 67.06 112.798 170.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 157' ' ' PHE . 0.3 OUTLIER -70.96 -41.33 71.2 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.041 -0.664 . . . . 55.54 110.084 170.59 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -45.9 -45.67 15.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.7 0.8 . . . . 59.18 112.523 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.63 -17.85 55.4 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.114 0.783 . . . . 57.0 113.114 -172.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' ND1' HD21 ' A' ' 153' ' ' LEU . 51.3 t-80 -49.42 154.73 0.85 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.758 0.789 . . . . 54.27 111.413 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . . . -67.72 -26.48 66.17 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 115.736 -0.665 . . . . 56.06 111.68 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.689 ' HB3' ' HB3' ' A' ' 149' ' ' MET . 12.0 m-30 -98.96 15.66 24.97 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.85 0.685 . . . . 60.26 112.85 -178.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.88 61.07 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.335 -0.946 . . . . 46.75 112.294 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.563 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 63.3 p-90 -49.48 -43.45 71.63 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 114.35 1.241 . . . . 51.55 114.35 -164.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.563 ' HD3' ' CG ' ' A' ' 81' ' ' TRP . 10.3 Cg_exo -60.56 -22.09 71.04 Favored 'Trans proline' 0 CA--C 1.508 -0.807 0 CA-C-N 121.57 1.596 . . . . 49.45 112.974 -178.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -106.66 12.34 29.39 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.232 0.613 . . . . 44.24 112.386 -172.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -88.82 2.01 54.31 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.182 0.808 . . . . 61.35 113.182 -175.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HB2' ' CD ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -160.46 174.16 4.17 Favored Pre-proline 0 C--O 1.244 0.77 0 N-CA-C 107.38 -1.341 . . . . 54.35 107.38 174.346 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' CD ' ' HB2' ' A' ' 85' ' ' GLN . 17.7 Cg_exo -62.99 153.61 72.46 Favored 'Trans proline' 0 C--N 1.331 -0.375 0 N-CA-C 110.222 -0.722 . . . . 43.6 110.222 176.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 97' ' ' TYR . 4.1 m -71.56 127.15 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.758 -0.83 . . . . 53.9 108.758 177.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.463 ' OD1' ' HB ' ' A' ' 90' ' ' VAL . 39.6 t0 -89.91 89.72 7.86 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 106.504 -1.665 . . . . 49.48 106.504 174.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -19.0 50.09 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.716 -1.194 . . . . 50.7 110.974 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HB ' ' OD1' ' A' ' 88' ' ' ASP . 37.1 t -75.33 -56.09 9.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 121.055 -0.258 . . . . 54.94 110.782 176.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -57.9 -43.15 85.98 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 118.59 -1.244 . . . . 50.97 110.593 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.684 HD21 ' O23' ' A' ' 201' ' ' D89 . 1.5 mm? -78.43 -11.57 59.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.496 1.118 . . . . 52.22 113.496 -177.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' ' 301' ' ' HOH . 7.5 m120 59.79 54.16 4.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.061 0.934 . . . . 63.46 111.272 -178.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.87 71.06 40.66 Favored Pre-proline 0 C--O 1.24 0.586 0 N-CA-C 107.595 -1.261 . . . . 56.37 107.595 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 60.0 Cg_endo -60.76 -11.56 18.13 Favored 'Trans proline' 0 CA--C 1.505 -0.941 0 CA-C-O 118.742 -0.607 . . . . 53.34 113.324 -177.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' OD2' ' OH ' ' A' ' 139' ' ' TYR . 35.1 p-10 -96.31 -7.43 35.34 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.578 0.955 . . . . 51.21 113.578 -179.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CZ ' HG13 ' A' ' 101' ' ' ILE . 54.4 t80 -54.26 -60.71 2.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.381 -0.928 . . . . 46.66 110.966 -174.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.453 ' OH ' HG22 ' A' ' 87' ' ' VAL . 56.3 m-85 -73.08 -0.73 14.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.681 0.623 . . . . 44.41 112.681 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.76 -16.03 33.21 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.148 -1.021 . . . . 61.51 112.151 168.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG22 HD13 ' A' ' 101' ' ' ILE . 25.1 mt -107.77 -39.3 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 122.81 0.444 . . . . 46.34 111.731 176.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.541 HG13 ' CZ ' ' A' ' 97' ' ' TYR . 19.2 mm -89.48 122.11 40.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.12 -1.067 . . . . 42.97 108.12 176.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -107.96 -23.52 11.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.406 1.262 . . . . 48.95 114.406 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.9 p -116.19 90.43 28.97 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 107.861 -1.163 . . . . 52.69 107.861 171.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -74.82 153.08 42.46 Favored 'Trans proline' 0 CA--C 1.511 -0.644 0 CA-C-O 121.505 0.544 . . . . 45.38 110.96 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 20.9 tpp -161.76 144.46 11.89 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.531 -0.915 . . . . 43.95 108.531 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.622 ' OD2' HG23 ' A' ' 109' ' ' THR . 4.4 p30 -155.64 159.67 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.709 -0.848 . . . . 45.79 108.709 -178.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 50.0 mtm -67.88 -19.99 65.07 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 118.909 -1.117 . . . . 53.76 111.615 -175.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.13 -46.92 76.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.101 -1.047 . . . . 47.69 111.545 174.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . 0.622 HG23 ' OD2' ' A' ' 106' ' ' ASP . 0.6 OUTLIER -76.29 -19.43 58.29 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 117.381 -1.728 . . . . 55.32 111.689 178.174 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.64 HD11 ' HB3' ' A' ' 128' ' ' ASP . 19.3 mm -67.33 -50.09 65.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.924 0.784 . . . . 47.9 110.071 168.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.648 ' HB2' HD21 ' A' ' 71' ' ' LEU . 5.6 ttpt -61.37 -34.34 75.15 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.972 -0.691 . . . . 62.96 111.084 -179.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -70.87 -37.83 73.09 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.767 -0.773 . . . . 63.86 111.157 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 109' ' ' THR . 96.7 mtt180 -68.34 -45.9 71.6 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 122.03 -0.418 . . . . 53.65 111.121 179.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 33.6 mt -54.65 -55.18 32.31 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.185 -0.606 . . . . 57.15 110.599 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.67 -26.2 68.56 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.54 -0.864 . . . . 68.46 111.514 -173.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -87.49 11.5 14.61 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.203 0.816 . . . . 68.8 113.203 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER 35.29 41.45 0.08 Allowed 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.875 0.694 . . . . 71.07 112.875 -172.319 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.513 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 23.3 t80 -61.32 -22.37 64.83 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.123 -0.944 . . . . 47.47 112.576 175.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.47 152.77 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.403 0.621 . . . . 44.84 111.27 -171.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.453 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 75.1 t-105 -87.78 -47.62 8.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.338 -0.846 . . . . 47.59 112.197 171.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.459 ' OD1' ' HG2' ' A' ' 124' ' ' GLU . 52.1 p30 -140.65 160.86 39.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.269 1.033 . . . . 45.61 110.793 178.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.55 -34.77 26.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.86 -1.064 . . . . 45.92 112.417 -177.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . . . -61.19 -40.6 94.54 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.022 -0.671 . . . . 44.09 111.955 -173.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.459 ' HG2' ' OD1' ' A' ' 121' ' ' ASN . 0.7 OUTLIER -66.44 -33.38 75.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 117.231 -1.787 . . . . 55.84 111.22 179.313 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.76 -41.24 79.13 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 118.41 -1.316 . . . . 43.72 110.742 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.35 -33.34 58.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.114 -0.634 . . . . 43.31 110.264 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -31.49 72.58 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 118.774 -1.17 . . . . 63.77 111.917 177.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.64 ' HB3' HD11 ' A' ' 110' ' ' ILE . 74.8 m-20 -71.8 -35.75 70.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 119.106 -1.037 . . . . 43.3 111.042 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.48 -48.37 82.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 118.85 -1.14 . . . . 42.04 110.079 171.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.79 -48.36 75.49 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.758 -0.777 . . . . 59.93 110.87 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -40.29 75.57 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 119.645 -0.822 . . . . 48.86 111.219 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 59.9 ttp -58.77 -48.78 80.05 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.026 -0.67 . . . . 40.99 110.387 -179.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -64.95 -51.26 62.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.842 -0.743 . . . . 40.62 111.505 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' THR . . . . . 0.518 ' O ' HG13 ' A' ' 138' ' ' ILE . 18.9 m -51.23 -47.32 62.38 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.158 -0.617 . . . . 55.12 111.287 179.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -47.65 -50.01 25.82 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.994 -0.682 . . . . 42.35 110.246 175.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 32.3 t -67.36 -31.78 72.26 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.514 -0.474 . . . . 46.2 112.13 -171.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -78.88 -17.09 56.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 111.978 0.362 . . . . 51.15 111.978 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 134' ' ' THR . 10.1 mt -85.87 -53.11 11.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 C-N-CA 120.157 -0.617 . . . . 50.85 110.782 -179.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.463 ' HB2' HD11 ' A' ' 101' ' ' ILE . 81.7 t80 -68.02 -25.43 65.38 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.239 -0.984 . . . . 55.87 111.061 -177.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -110.53 176.25 5.11 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.997 -0.742 . . . . 47.21 108.997 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . . . -122.53 162.6 37.33 Favored Pre-proline 0 C--O 1.239 0.513 0 C-N-CA 124.567 1.147 . . . . 55.93 110.422 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.34 141.72 76.12 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 N-CA-C 110.667 -0.551 . . . . 54.9 110.667 -175.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 98.01 -25.06 29.1 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-O 119.128 -0.818 . . . . 50.3 114.463 -177.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -58.47 147.84 30.36 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.422 1.111 . . . . 50.25 110.014 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 149' ' ' MET . 83.2 m-20 -63.27 -36.95 85.36 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.766 -0.773 . . . . 60.16 111.378 -175.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.86 -38.69 81.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 119.935 -0.706 . . . . 44.98 109.897 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.31 -42.31 86.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 O-C-N 122.096 -0.378 . . . . 49.26 110.512 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.86 -42.71 90.04 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.242 -0.983 . . . . 52.07 110.938 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' MET . . . . . 0.689 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 61.5 mtp -62.74 -40.97 98.89 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.838 -0.745 . . . . 53.4 110.819 177.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.34 -57.31 5.46 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.857 0.361 . . . . 49.06 111.028 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.27 -45.85 8.82 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.085 0.469 . . . . 59.55 109.871 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.32 -53.95 50.18 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.913 -0.715 . . . . 47.26 110.704 176.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.496 HD21 ' ND1' ' A' ' 77' ' ' HIS . 1.5 mt -60.45 -34.48 74.06 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.216 -0.994 . . . . 54.22 111.537 -176.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.46 -28.89 67.44 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.708 -0.797 . . . . 62.64 111.018 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -68.94 -47.78 64.88 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.618 0.247 . . . . 67.6 110.797 172.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.75 -41.18 99.08 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 118.742 -1.183 . . . . 55.07 110.378 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' PHE . . . . . 0.5 ' HB2' HD21 ' A' ' 74' ' ' LEU . 85.5 t80 -59.86 -49.37 77.95 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 122.276 -0.265 . . . . 47.79 110.691 179.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.77 -35.34 77.85 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.81 -0.756 . . . . 61.2 111.636 -178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -68.25 -37.87 81.2 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 122.083 -0.386 . . . . 64.47 111.504 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -74.26 -29.13 61.54 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.187 0.81 . . . . 66.27 113.187 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' A' ' 157' ' ' PHE . 7.6 pt -97.5 -1.26 10.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 118.688 0.676 . . . . 51.14 112.38 -178.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.49 -33.57 45.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.951 -0.7 . . . . 61.71 111.099 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -131.38 103.28 6.35 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.384 -0.598 . . . . 64.33 109.384 -177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.4 mt -101.26 157.03 34.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 C-N-CA 125.903 1.681 . . . . 57.63 111.16 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 24.0 Cg_exo -68.34 157.23 62.69 Favored 'Trans proline' 0 C--N 1.329 -0.492 0 C-N-CA 120.525 0.817 . . . . 64.59 112.045 177.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 2.5 p -84.24 168.78 15.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.848 0.832 . . . . 81.02 110.404 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -96.05 150.72 20.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.403 0.621 . . . . 90.83 110.324 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 . . . . . 0 C--O 1.24 0.601 0 CA-C-O 122.19 0.995 . . . . 102.44 111.422 179.237 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' D89 . . . . . 0.684 ' O23' HD21 ' A' ' 92' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.538 ' O ' ' HA ' ' A' ' 93' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_