data_4f44_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4f44 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.193 0.52 . . . . 60.859999999999999 110.424 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.84 138.97 52.75 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.796 1.035 . . . . 54.68 113.796 -172.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.94 -41.44 87.41 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.87 0.366 . . . . 51.840000000000003 111.715 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 p -51.25 -45.33 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 55.109999999999999 110.756 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.4 m -57.5 -27.49 62.6 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 124.113 0.965 . . . . 56.649999999999999 111.968 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.65 137.64 42.85 Favored Pre-proline 0 C--O 1.24 0.562 0 CA-C-N 116.263 -0.426 . . . . 57.43 110.445 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.07 145.51 96.51 Favored 'Trans proline' 0 C--O 1.243 0.748 0 O-C-N 122.986 0.992 . . . . 57.520000000000003 111.754 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 tp -45.15 -34.34 2.65 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.997 0.81 . . . . 57.670000000000002 112.987 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -39.35 83.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.192 1.182 . . . . 55.93 114.192 -174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -81.3 -40.26 23.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.778 -0.192 . . . . 58.140000000000001 110.57 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -51.73 -40.68 60.65 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 112.547 0.573 . . . . 61.659999999999997 112.547 171.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.57 -41.0 80.22 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-N 115.591 -0.731 . . . . 58.700000000000003 111.062 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -72.87 -39.33 66.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.961 -0.563 . . . . 56.719999999999999 111.592 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.7 t -51.56 -57.46 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 109.274 -0.639 . . . . 40.57 109.274 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' OE1' ' NH2' ' B' ' 50' ' ' ARG . 85.3 mt-10 -57.46 -40.26 78.12 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 113.538 0.94 . . . . 41.350000000000001 113.538 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -60.49 -40.2 90.46 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 120.632 -0.427 . . . . 55.600000000000001 111.815 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -71.62 -28.44 63.79 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 113.676 0.991 . . . . 44.890000000000001 113.676 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.89 53.64 2.79 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-O 121.051 0.453 . . . . 46.969999999999999 109.987 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -86.97 158.23 19.31 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 119.237 -0.985 . . . . 54.939999999999998 110.604 -172.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 -125.57 25.99 Favored Glycine 0 C--O 1.227 -0.321 0 CA-C-N 115.453 -0.794 . . . . 42.390000000000001 112.019 -177.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -83.12 -4.22 58.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.184 1.179 . . . . 48.770000000000003 114.184 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.7 m -68.49 -37.39 80.07 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.244 -0.583 . . . . 38.32 112.514 -162.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -60.59 -29.69 69.35 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.563 0.539 . . . . 33.68 112.036 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -70.52 -42.55 71.12 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.193 -0.603 . . . . 37.359999999999999 109.656 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -63.87 -45.21 90.47 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.767 -0.827 . . . . 38.32 108.767 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 tp -60.2 -43.26 96.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 31.07 111.077 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . 0.562 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . . . -64.48 -41.57 96.41 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.874 0.694 . . . . 29.649999999999999 112.874 179.528 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.15 -47.06 68.9 Favored Glycine 0 C--O 1.223 -0.582 0 N-CA-C 110.142 -1.183 . . . . 29.199999999999999 110.142 173.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -69.75 -29.65 67.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 110.279 -0.267 . . . . 35.899999999999999 110.279 -175.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.61 -0.86 31.55 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.069 0.766 . . . . 32.490000000000002 113.069 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.19 3.38 51.15 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.598 1.399 . . . . 34.950000000000003 116.598 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -79.87 131.52 35.88 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 117.596 0.698 . . . . 37.920000000000002 112.059 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -76.26 160.71 77.26 Favored Pre-proline 0 C--O 1.24 0.58 0 N-CA-C 108.943 -0.762 . . . . 49.439999999999998 108.943 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.92 -37.48 65.58 Favored 'Trans proline' 0 C--O 1.237 0.457 0 O-C-N 122.766 0.877 . . . . 41.350000000000001 113.917 -170.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -70.41 -36.96 74.36 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.309 0.38 . . . . 50.850000000000001 111.43 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -39.87 88.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.09 -0.505 . . . . 34.740000000000002 110.668 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . 0.562 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 1.2 mm -61.14 -50.44 80.5 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 109.302 -0.629 . . . . 36.689999999999998 109.302 175.246 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -52.78 -36.79 58.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.273 1.212 . . . . 41.560000000000002 114.273 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -56.59 -32.68 65.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.349 -0.387 . . . . 32.25 111.738 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -75.0 -19.94 59.86 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.463 1.283 . . . . 29.57 114.463 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.9 p -68.54 1.81 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.672 0.989 . . . . 31.420000000000002 113.672 174.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -90.15 -12.47 38.14 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.145 0.498 . . . . 32.380000000000003 110.221 176.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.42 157.92 24.79 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.91 -1.144 . . . . 43.189999999999998 107.91 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.625 -0.509 . . . . 23.890000000000001 109.625 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.4 t -142.43 73.35 20.79 Favored Pre-proline 0 C--O 1.236 0.362 0 O-C-N 123.944 0.778 . . . . 20.140000000000001 109.782 -174.975 -167.922 86.784 -117.467 105.489 2.02 104.655 85.665 -168.153 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -47.19 -43.41 25.76 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.776 1.651 . . . . 18.440000000000001 113.549 -172.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.62 -39.69 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.513 -0.475 . . . . 21.34 112.074 -175.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . 0.855 ' NH2' ' NH2' ' B' ' 50' ' ' ARG . 42.2 ttm180 -68.13 -43.58 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.015 -0.428 . . . . 40.130000000000003 110.413 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.76 77.59 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 24.989999999999998 109.552 -175.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tp -51.89 -52.69 47.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.956 -0.698 . . . . 32.539999999999999 110.701 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.45 -33.78 76.75 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.657 0.984 . . . . 26.210000000000001 113.657 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.95 99.17 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.841 -0.8 . . . . 28.140000000000001 108.841 175.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -68.37 -58.76 3.87 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 109.167 -0.679 . . . . 32.240000000000002 109.167 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -51.59 -44.98 62.99 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.263 0.838 . . . . 32.32 113.263 174.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -7.14 5.87 Favored Glycine 0 N--CA 1.478 1.476 0 N-CA-C 118.495 2.158 . . . . 37.329999999999998 118.495 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.93 -17.62 29.16 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 113.568 0.951 . . . . 44.840000000000003 113.568 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -65.55 162.18 18.68 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.005 -0.739 . . . . 59.0 109.005 168.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -81.65 -27.44 34.1 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.135 0.493 . . . . 56.990000000000002 112.249 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -73.56 -5.3 39.35 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.089 0.774 . . . . 47.439999999999998 113.089 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.91 62.17 2.05 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.404 0.89 . . . . 43.68 113.404 -171.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . 0.548 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 7.1 m -83.1 155.18 23.97 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.823 -0.626 . . . . 42.43 110.828 179.752 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.4 tp -50.67 -42.35 56.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.999 -0.546 . . . . 38.950000000000003 110.468 168.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . 0.548 ' OD2' ' CG2' ' A' ' 63' ' ' THR . 2.2 p-10 -73.17 -31.51 64.29 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 112.504 0.557 . . . . 36.600000000000001 112.504 -172.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.23 90.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 123.81 0.694 . . . . 29.120000000000001 109.581 169.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.6 tp -67.54 -48.3 67.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.385 -0.526 . . . . 30.969999999999999 110.567 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.33 -44.92 76.33 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.735 -0.666 . . . . 28.809999999999999 111.7 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.67 -40.2 87.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.501 0.556 . . . . 27.16 112.501 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.39 77.61 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.755 -0.778 . . . . 25.98 110.543 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.71 -38.23 90.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.041 0.756 . . . . 27.780000000000001 113.041 172.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -63.92 -44.15 93.78 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.451 -0.574 . . . . 28.859999999999999 109.451 172.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -66.78 -23.7 66.1 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 114.137 1.162 . . . . 52.060000000000002 114.137 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 pt -96.15 24.43 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.228 -0.92 . . . . 37.469999999999999 111.818 172.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 60.29 29.84 19.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.57 1.322 . . . . 51.840000000000003 114.57 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -111.47 47.69 1.0 Allowed 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.985 0.898 . . . . 52.259999999999998 112.652 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -25.84 68.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.387 -0.824 . . . . 39.460000000000001 109.786 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.98 -41.59 78.66 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.168 -0.213 . . . . 48.609999999999999 111.206 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.07 -39.3 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.099 -0.5 . . . . 39.700000000000003 112.164 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.31 -51.74 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 123.39 0.431 . . . . 39.149999999999999 110.242 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -53.95 -49.1 69.48 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 108.961 -0.755 . . . . 54.729999999999997 108.961 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -58.81 -45.75 89.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.223 -0.899 . . . . 49.130000000000003 111.861 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 mt -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.731 0.641 . . . . 50.100000000000001 112.731 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . 1.205 ' SG ' ' S5 ' ' A' ' 101' ' ' MNB . 95.9 m -87.1 -29.87 21.54 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 113.795 1.035 . . . . 53.990000000000002 113.795 -173.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--O 1.235 0.331 0 N-CA-C 113.139 0.792 . . . . 57.409999999999997 113.139 -172.366 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 121.363 0.601 . . . . 62.020000000000003 109.533 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.4 139.08 45.66 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.194 -0.912 . . . . 55.25 112.142 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -57.28 -44.15 83.74 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.785 0.326 . . . . 51.350000000000001 111.876 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -52.26 -55.55 20.53 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.239 -0.437 . . . . 55.060000000000002 111.123 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -48.77 -26.07 2.17 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.873 1.064 . . . . 58.340000000000003 113.873 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 mt -49.17 138.79 13.73 Favored Pre-proline 0 C--O 1.24 0.598 0 N-CA-C 111.929 0.344 . . . . 57.810000000000002 111.929 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -58.44 137.47 80.55 Favored 'Trans proline' 0 C--O 1.242 0.695 0 C-N-CA 120.989 1.126 . . . . 57.789999999999999 112.647 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 29.3 tp -43.39 -40.77 3.86 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.006 -0.997 . . . . 57.829999999999998 112.618 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -70.66 -25.09 62.84 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.663 1.357 . . . . 56.369999999999997 114.663 -173.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -83.53 -39.41 20.47 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.448 0.467 . . . . 58.289999999999999 110.779 171.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -57.04 -37.86 72.38 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 123.588 0.555 . . . . 59.399999999999999 111.913 174.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -53.86 -46.32 71.24 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.853 -0.612 . . . . 59.689999999999998 112.121 169.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -63.4 -46.36 86.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.846 0.355 . . . . 53.109999999999999 111.444 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.59 -59.62 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 115.37 -0.832 . . . . 40.359999999999999 109.561 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . 0.434 ' OE1' ' NH2' ' A' ' 50' ' ' ARG . 82.8 mt-10 -54.26 -42.82 70.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.515 0.931 . . . . 39.810000000000002 113.515 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -63.75 -41.37 98.03 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.572 0.701 . . . . 57.609999999999999 110.407 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.53 -29.65 69.1 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.316 -0.857 . . . . 45.030000000000001 113.152 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 13.5 mt -86.66 57.7 4.64 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.954 0.784 . . . . 46.850000000000001 110.349 173.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -77.28 154.77 32.6 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.54 -0.864 . . . . 51.009999999999998 112.597 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.93 -130.65 22.54 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 115.456 -0.793 . . . . 42.619999999999997 113.387 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.02 -10.09 59.15 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.109 1.522 . . . . 49.119999999999997 115.109 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -60.0 -43.11 95.39 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 112.637 0.606 . . . . 37.859999999999999 112.637 -161.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -60.76 -28.4 68.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 123.783 0.677 . . . . 32.700000000000003 112.76 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -68.7 -46.5 68.84 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.621 -0.511 . . . . 35.460000000000001 109.621 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -60.69 -44.61 96.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.78 -0.646 . . . . 38.020000000000003 111.214 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.03 -48.07 82.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 123.477 0.486 . . . . 30.73 111.748 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.65 90.95 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.303 0.573 . . . . 28.859999999999999 111.93 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.96 -44.9 82.69 Favored Glycine 0 C--O 1.227 -0.301 0 N-CA-C 111.001 -0.839 . . . . 28.949999999999999 111.001 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . 0.411 ' CB ' ' CD1' ' B' ' 74' ' ' ILE . 34.5 tp10 -71.55 -23.9 61.84 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.747 -0.464 . . . . 33.009999999999998 109.747 -176.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -85.88 -1.35 57.19 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.74 0.645 . . . . 31.09 112.74 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.5 -9.52 32.8 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 116.818 1.487 . . . . 34.729999999999997 116.818 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -74.52 135.99 42.18 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 122.219 -0.577 . . . . 38.729999999999997 110.798 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -79.71 164.89 51.12 Favored Pre-proline 0 C--O 1.239 0.506 0 O-C-N 123.604 0.565 . . . . 51.539999999999999 110.776 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.5 -41.52 47.89 Favored 'Trans proline' 0 C--O 1.242 0.677 0 O-C-N 122.659 0.821 . . . . 41.799999999999997 113.2 -172.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -72.63 -33.3 66.54 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.516 0.561 . . . . 48.899999999999999 112.516 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.25 -42.32 98.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.582 -0.525 . . . . 35.600000000000001 109.582 170.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.23 -46.93 89.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-O 121.186 0.517 . . . . 37.659999999999997 110.509 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -50.7 -30.0 12.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.201 1.186 . . . . 41.060000000000002 114.201 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -68.35 -31.86 71.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.74 0.305 . . . . 31.98 111.423 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -70.57 -22.09 62.62 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.86 1.43 . . . . 29.43 114.86 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.3 p -60.29 -10.1 4.26 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.71 1.004 . . . . 32.560000000000002 113.71 171.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -82.34 -17.68 44.82 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.812 -0.755 . . . . 31.530000000000001 111.535 177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.54 159.28 26.94 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.335 -0.987 . . . . 44.240000000000002 108.335 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.11 61.44 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.776 -0.369 . . . . 22.25 110.534 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 19.1 t -141.53 73.91 24.08 Favored Pre-proline 0 CA--C 1.517 -0.289 0 N-CA-C 108.707 -0.849 . . . . 18.260000000000002 108.707 -177.048 -168.153 85.665 -117.467 104.655 2.02 105.489 86.784 -167.922 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.73 -40.06 47.39 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.283 1.322 . . . . 19.739999999999998 112.808 -171.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.5 -42.16 86.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 119.214 -0.994 . . . . 22.100000000000001 110.442 -171.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . 0.855 ' NH2' ' NH2' ' A' ' 50' ' ' ARG . 43.3 ttm180 -65.36 -44.06 88.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.12 0.486 . . . . 44.109999999999999 109.957 179.565 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 25.289999999999999 109.975 -175.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -51.37 65.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.021 -0.672 . . . . 30.5 112.651 172.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.09 -38.15 90.05 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.409 0.522 . . . . 25.77 112.409 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.7 89.43 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 120.416 -0.514 . . . . 29.390000000000001 110.75 171.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -54.08 35.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.752 0.31 . . . . 33.390000000000001 110.232 -179.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -54.42 -46.28 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.884 0.327 . . . . 32.549999999999997 111.884 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.99 -6.98 10.88 Favored Glycine 0 N--CA 1.475 1.281 0 N-CA-C 119.227 2.451 . . . . 37.600000000000001 119.227 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.03 -22.73 42.08 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 112.762 0.653 . . . . 43.840000000000003 112.762 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.97 154.85 40.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.235 0.457 . . . . 54.640000000000001 112.235 171.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -28.78 58.12 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.851 0.358 . . . . 55.159999999999997 111.409 178.915 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.0 p -77.73 -1.25 30.31 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.94 1.089 . . . . 45.450000000000003 113.94 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.22 65.04 7.16 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.467 0.651 . . . . 40.609999999999999 112.755 -174.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 77.1 p -84.03 156.54 22.2 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.431 -0.804 . . . . 36.490000000000002 111.199 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 54.5 tp -53.43 -39.33 64.3 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.33 -0.548 . . . . 38.109999999999999 110.677 171.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -70.37 -37.8 74.64 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.552 0.575 . . . . 37.579999999999998 112.552 -174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.77 73.88 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.545 0.528 . . . . 29.710000000000001 110.899 168.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.7 tp -67.51 -46.03 74.06 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.808 0.813 . . . . 30.18 111.542 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -55.4 -44.81 76.5 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.432 -0.803 . . . . 27.390000000000001 111.685 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.63 78.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.831 0.678 . . . . 26.140000000000001 112.831 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.28 78.04 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 120.301 -0.56 . . . . 25.609999999999999 109.793 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.93 -41.53 97.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.106 1.15 . . . . 27.420000000000002 114.106 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 mtm105 -60.63 -48.04 83.53 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.704 -0.48 . . . . 29.850000000000001 109.704 171.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.55 -18.71 64.15 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 113.005 0.743 . . . . 51.0 113.005 -176.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ILE . . . . . 0.411 ' CD1' ' CB ' ' B' ' 31' ' ' GLU . 0.8 OUTLIER -99.57 8.73 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.341 0.656 . . . . 37.280000000000001 110.915 -178.483 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 69.89 28.18 4.31 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.71 1.004 . . . . 49.840000000000003 113.71 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -114.68 45.01 1.64 Allowed 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.877 0.846 . . . . 48.579999999999998 111.173 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.51 61.28 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.234 -0.894 . . . . 37.899999999999999 109.834 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -56.73 -37.25 70.72 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.467 0.543 . . . . 46.770000000000003 112.467 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 76.8 mt -68.64 -42.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 123.038 0.212 . . . . 40.07 110.598 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.0 t -54.66 -54.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 123.379 0.424 . . . . 39.560000000000002 111.856 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.65 -50.98 53.18 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 120.749 0.309 . . . . 55.289999999999999 110.398 177.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -57.0 -47.24 81.29 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.431 -0.804 . . . . 49.789999999999999 112.394 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 30.6 mt -68.1 -29.08 67.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.23 -0.588 . . . . 51.060000000000002 111.975 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' CYS . . . . . 1.097 ' SG ' ' S5 ' ' B' ' 101' ' ' MNB . 94.3 m -84.49 -34.21 23.4 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.836 0.68 . . . . 54.450000000000003 112.836 -175.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.39 -0.368 . . . . 57.25 111.261 177.399 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MNB . . . . . 1.205 ' S5 ' ' SG ' ' A' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' MNB . . . . . 1.097 ' S5 ' ' SG ' ' B' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.193 0.52 . . . . 60.859999999999999 110.424 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.84 138.97 52.75 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.796 1.035 . . . . 54.68 113.796 -172.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.94 -41.44 87.41 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.87 0.366 . . . . 51.840000000000003 111.715 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 p -51.25 -45.33 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 55.109999999999999 110.756 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.4 m -57.5 -27.49 62.6 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 124.113 0.965 . . . . 56.649999999999999 111.968 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD11 HD13 ' A' ' 64' ' ' LEU . 20.4 mt -52.65 137.64 42.85 Favored Pre-proline 0 C--O 1.24 0.562 0 CA-C-N 116.263 -0.426 . . . . 57.43 110.445 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.07 145.51 96.51 Favored 'Trans proline' 0 C--O 1.243 0.748 0 O-C-N 122.986 0.992 . . . . 57.520000000000003 111.754 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 tp -45.15 -34.34 2.65 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.997 0.81 . . . . 57.670000000000002 112.987 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -39.35 83.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.192 1.182 . . . . 55.93 114.192 -174.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -81.3 -40.26 23.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.778 -0.192 . . . . 58.140000000000001 110.57 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -51.73 -40.68 60.65 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 112.547 0.573 . . . . 61.659999999999997 112.547 171.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.722 ' HG2' ' O ' ' A' ' 221' ' ' HOH . 5.2 tp10 -57.57 -41.0 80.22 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-N 115.591 -0.731 . . . . 58.700000000000003 111.062 175.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -72.87 -39.33 66.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.961 -0.563 . . . . 56.719999999999999 111.592 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.7 t -51.56 -57.46 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 109.274 -0.639 . . . . 40.57 109.274 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' OE1' ' NH2' ' B' ' 50' ' ' ARG . 85.3 mt-10 -57.46 -40.26 78.12 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 113.538 0.94 . . . . 41.350000000000001 113.538 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -60.49 -40.2 90.46 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 120.632 -0.427 . . . . 55.600000000000001 111.815 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -71.62 -28.44 63.79 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 113.676 0.991 . . . . 44.890000000000001 113.676 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.89 53.64 2.79 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-O 121.051 0.453 . . . . 46.969999999999999 109.987 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' B' ' 201' ' ' HOH . 18.0 p-10 -86.97 158.23 19.31 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 119.237 -0.985 . . . . 54.939999999999998 110.604 -172.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 -125.57 25.99 Favored Glycine 0 C--O 1.227 -0.321 0 CA-C-N 115.453 -0.794 . . . . 42.390000000000001 112.019 -177.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -83.12 -4.22 58.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.184 1.179 . . . . 48.770000000000003 114.184 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.7 m -68.49 -37.39 80.07 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.244 -0.583 . . . . 38.32 112.514 -162.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -60.59 -29.69 69.35 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.563 0.539 . . . . 33.68 112.036 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -70.52 -42.55 71.12 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.193 -0.603 . . . . 37.359999999999999 109.656 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -63.87 -45.21 90.47 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.767 -0.827 . . . . 38.32 108.767 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 tp -60.2 -43.26 96.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 31.07 111.077 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . 0.762 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . . . -64.48 -41.57 96.41 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.874 0.694 . . . . 29.649999999999999 112.874 179.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.15 -47.06 68.9 Favored Glycine 0 C--O 1.223 -0.582 0 N-CA-C 110.142 -1.183 . . . . 29.199999999999999 110.142 173.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -69.75 -29.65 67.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 110.279 -0.267 . . . . 35.899999999999999 110.279 -175.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.61 -0.86 31.55 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.069 0.766 . . . . 32.490000000000002 113.069 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.19 3.38 51.15 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.598 1.399 . . . . 34.950000000000003 116.598 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -79.87 131.52 35.88 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 117.596 0.698 . . . . 37.920000000000002 112.059 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -76.26 160.71 77.26 Favored Pre-proline 0 C--O 1.24 0.58 0 N-CA-C 108.943 -0.762 . . . . 49.439999999999998 108.943 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.92 -37.48 65.58 Favored 'Trans proline' 0 C--O 1.237 0.457 0 O-C-N 122.766 0.877 . . . . 41.350000000000001 113.917 -170.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -70.41 -36.96 74.36 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.309 0.38 . . . . 50.850000000000001 111.43 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -39.87 88.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.09 -0.505 . . . . 34.740000000000002 110.668 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . 0.762 ' CD1' ' HB3' ' A' ' 29' ' ' ALA . 1.2 mm -61.14 -50.44 80.5 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 109.302 -0.629 . . . . 36.689999999999998 109.302 175.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -52.78 -36.79 58.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.273 1.212 . . . . 41.560000000000002 114.273 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -56.59 -32.68 65.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.349 -0.387 . . . . 32.25 111.738 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -75.0 -19.94 59.86 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.463 1.283 . . . . 29.57 114.463 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.9 p -68.54 1.81 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.672 0.989 . . . . 31.420000000000002 113.672 174.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -90.15 -12.47 38.14 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.145 0.498 . . . . 32.380000000000003 110.221 176.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.42 157.92 24.79 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.91 -1.144 . . . . 43.189999999999998 107.91 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.625 -0.509 . . . . 23.890000000000001 109.625 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.4 t -142.43 73.35 20.79 Favored Pre-proline 0 C--O 1.236 0.362 0 O-C-N 123.944 0.778 . . . . 20.140000000000001 109.782 -174.975 -167.922 86.784 -117.467 105.489 2.02 104.655 85.665 -168.153 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -47.19 -43.41 25.76 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.776 1.651 . . . . 18.440000000000001 113.549 -172.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.62 -39.69 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.513 -0.475 . . . . 21.34 112.074 -175.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . 1.063 HH21 ' NH2' ' B' ' 50' ' ' ARG . 42.2 ttm180 -68.13 -43.58 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.015 -0.428 . . . . 40.130000000000003 110.413 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.76 77.59 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 24.989999999999998 109.552 -175.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tp -51.89 -52.69 47.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.956 -0.698 . . . . 32.539999999999999 110.701 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.45 -33.78 76.75 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.657 0.984 . . . . 26.210000000000001 113.657 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.95 99.17 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.841 -0.8 . . . . 28.140000000000001 108.841 175.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -68.37 -58.76 3.87 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 109.167 -0.679 . . . . 32.240000000000002 109.167 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -51.59 -44.98 62.99 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.263 0.838 . . . . 32.32 113.263 174.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -7.14 5.87 Favored Glycine 0 N--CA 1.478 1.476 0 N-CA-C 118.495 2.158 . . . . 37.329999999999998 118.495 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.93 -17.62 29.16 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 113.568 0.951 . . . . 44.840000000000003 113.568 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -65.55 162.18 18.68 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.005 -0.739 . . . . 59.0 109.005 168.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 217' ' ' HOH . 4.5 t0 -81.65 -27.44 34.1 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.135 0.493 . . . . 56.990000000000002 112.249 177.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -73.56 -5.3 39.35 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.089 0.774 . . . . 47.439999999999998 113.089 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.91 62.17 2.05 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.404 0.89 . . . . 43.68 113.404 -171.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.6 HG21 ' OD2' ' A' ' 65' ' ' ASP . 7.1 m -83.1 155.18 23.97 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.823 -0.626 . . . . 42.43 110.828 179.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 8' ' ' LEU . 37.4 tp -50.67 -42.35 56.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.999 -0.546 . . . . 38.950000000000003 110.468 168.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.6 ' OD2' HG21 ' A' ' 63' ' ' THR . 2.2 p-10 -73.17 -31.51 64.29 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 112.504 0.557 . . . . 36.600000000000001 112.504 -172.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.23 90.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 123.81 0.694 . . . . 29.120000000000001 109.581 169.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.6 tp -67.54 -48.3 67.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.385 -0.526 . . . . 30.969999999999999 110.567 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 80' ' ' VAL . 96.4 mt -55.33 -44.92 76.33 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.735 -0.666 . . . . 28.809999999999999 111.7 177.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -59.67 -40.2 87.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.501 0.556 . . . . 27.16 112.501 176.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.39 77.61 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.755 -0.778 . . . . 25.98 110.543 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.71 -38.23 90.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.041 0.756 . . . . 27.780000000000001 113.041 172.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -63.92 -44.15 93.78 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.451 -0.574 . . . . 28.859999999999999 109.451 172.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 204' ' ' HOH . 44.0 mtt180 -66.78 -23.7 66.1 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 114.137 1.162 . . . . 52.060000000000002 114.137 -176.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 pt -96.15 24.43 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.228 -0.92 . . . . 37.469999999999999 111.818 172.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 60.29 29.84 19.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.57 1.322 . . . . 51.840000000000003 114.57 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -111.47 47.69 1.0 Allowed 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.985 0.898 . . . . 52.259999999999998 112.652 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -25.84 68.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.387 -0.824 . . . . 39.460000000000001 109.786 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.98 -41.59 78.66 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.168 -0.213 . . . . 48.609999999999999 111.206 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.07 -39.3 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.099 -0.5 . . . . 39.700000000000003 112.164 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG13 HD22 ' A' ' 68' ' ' LEU . 49.0 t -63.31 -51.74 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 123.39 0.431 . . . . 39.149999999999999 110.242 174.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -53.95 -49.1 69.48 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 108.961 -0.755 . . . . 54.729999999999997 108.961 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -58.81 -45.75 89.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.223 -0.899 . . . . 49.130000000000003 111.861 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 mt -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.731 0.641 . . . . 50.100000000000001 112.731 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . 0.682 ' SG ' ' S5 ' ' A' ' 101' ' ' MNB . 95.9 m -87.1 -29.87 21.54 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 113.795 1.035 . . . . 53.990000000000002 113.795 -173.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--O 1.235 0.331 0 N-CA-C 113.139 0.792 . . . . 57.409999999999997 113.139 -172.366 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 121.363 0.601 . . . . 62.020000000000003 109.533 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.4 139.08 45.66 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.194 -0.912 . . . . 55.25 112.142 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' B' ' 8' ' ' LEU . 73.5 t80 -57.28 -44.15 83.74 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.785 0.326 . . . . 51.350000000000001 111.876 176.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -52.26 -55.55 20.53 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.239 -0.437 . . . . 55.060000000000002 111.123 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -48.77 -26.07 2.17 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.873 1.064 . . . . 58.340000000000003 113.873 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . 0.434 HD11 HD13 ' B' ' 64' ' ' LEU . 25.7 mt -49.17 138.79 13.73 Favored Pre-proline 0 C--O 1.24 0.598 0 N-CA-C 111.929 0.344 . . . . 57.810000000000002 111.929 178.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' HD2' ' B' ' 12' ' ' LYS . 10.4 Cg_endo -58.44 137.47 80.55 Favored 'Trans proline' 0 C--O 1.242 0.695 0 C-N-CA 120.989 1.126 . . . . 57.789999999999999 112.647 177.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 29.3 tp -43.39 -40.77 3.86 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.006 -0.997 . . . . 57.829999999999998 112.618 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -70.66 -25.09 62.84 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.663 1.357 . . . . 56.369999999999997 114.663 -173.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' B' ' 9' ' ' PRO . 46.4 mttt -83.53 -39.41 20.47 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.448 0.467 . . . . 58.289999999999999 110.779 171.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -57.04 -37.86 72.38 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 123.588 0.555 . . . . 59.399999999999999 111.913 174.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -53.86 -46.32 71.24 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.853 -0.612 . . . . 59.689999999999998 112.121 169.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -63.4 -46.36 86.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.846 0.355 . . . . 53.109999999999999 111.444 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.59 -59.62 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 115.37 -0.832 . . . . 40.359999999999999 109.561 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -54.26 -42.82 70.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.515 0.931 . . . . 39.810000000000002 113.515 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -63.75 -41.37 98.03 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.572 0.701 . . . . 57.609999999999999 110.407 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . 0.579 HD12 HD21 ' B' ' 83' ' ' LEU . 54.1 mt -67.53 -29.65 69.1 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.316 -0.857 . . . . 45.030000000000001 113.152 -179.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 13.5 mt -86.66 57.7 4.64 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.954 0.784 . . . . 46.850000000000001 110.349 173.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -77.28 154.77 32.6 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.54 -0.864 . . . . 51.009999999999998 112.597 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.93 -130.65 22.54 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 115.456 -0.793 . . . . 42.619999999999997 113.387 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.02 -10.09 59.15 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.109 1.522 . . . . 49.119999999999997 115.109 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -60.0 -43.11 95.39 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 112.637 0.606 . . . . 37.859999999999999 112.637 -161.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -60.76 -28.4 68.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 123.783 0.677 . . . . 32.700000000000003 112.76 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -68.7 -46.5 68.84 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.621 -0.511 . . . . 35.460000000000001 109.621 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -60.69 -44.61 96.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.78 -0.646 . . . . 38.020000000000003 111.214 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.03 -48.07 82.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 123.477 0.486 . . . . 30.73 111.748 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.65 90.95 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.303 0.573 . . . . 28.859999999999999 111.93 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.96 -44.9 82.69 Favored Glycine 0 C--O 1.227 -0.301 0 N-CA-C 111.001 -0.839 . . . . 28.949999999999999 111.001 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 0.819 ' HB2' HD13 ' B' ' 74' ' ' ILE . 34.5 tp10 -71.55 -23.9 61.84 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.747 -0.464 . . . . 33.009999999999998 109.747 -176.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -85.88 -1.35 57.19 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.74 0.645 . . . . 31.09 112.74 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.5 -9.52 32.8 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 116.818 1.487 . . . . 34.729999999999997 116.818 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -74.52 135.99 42.18 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 122.219 -0.577 . . . . 38.729999999999997 110.798 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -79.71 164.89 51.12 Favored Pre-proline 0 C--O 1.239 0.506 0 O-C-N 123.604 0.565 . . . . 51.539999999999999 110.776 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.5 -41.52 47.89 Favored 'Trans proline' 0 C--O 1.242 0.677 0 O-C-N 122.659 0.821 . . . . 41.799999999999997 113.2 -172.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -72.63 -33.3 66.54 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.516 0.561 . . . . 48.899999999999999 112.516 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.25 -42.32 98.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.582 -0.525 . . . . 35.600000000000001 109.582 170.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.23 -46.93 89.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-O 121.186 0.517 . . . . 37.659999999999997 110.509 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -50.7 -30.0 12.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.201 1.186 . . . . 41.060000000000002 114.201 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -68.35 -31.86 71.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.74 0.305 . . . . 31.98 111.423 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -70.57 -22.09 62.62 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.86 1.43 . . . . 29.43 114.86 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.3 p -60.29 -10.1 4.26 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.71 1.004 . . . . 32.560000000000002 113.71 171.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -82.34 -17.68 44.82 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.812 -0.755 . . . . 31.530000000000001 111.535 177.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.54 159.28 26.94 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.335 -0.987 . . . . 44.240000000000002 108.335 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.11 61.44 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.776 -0.369 . . . . 22.25 110.534 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 19.1 t -141.53 73.91 24.08 Favored Pre-proline 0 CA--C 1.517 -0.289 0 N-CA-C 108.707 -0.849 . . . . 18.260000000000002 108.707 -177.048 -168.153 85.665 -117.467 104.655 2.02 105.489 86.784 -167.922 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.73 -40.06 47.39 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.283 1.322 . . . . 19.739999999999998 112.808 -171.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.5 -42.16 86.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 119.214 -0.994 . . . . 22.100000000000001 110.442 -171.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . 1.063 ' NH2' HH21 ' A' ' 50' ' ' ARG . 43.3 ttm180 -65.36 -44.06 88.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.12 0.486 . . . . 44.109999999999999 109.957 179.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 25.289999999999999 109.975 -175.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -51.37 65.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.021 -0.672 . . . . 30.5 112.651 172.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.09 -38.15 90.05 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.409 0.522 . . . . 25.77 112.409 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.7 89.43 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 120.416 -0.514 . . . . 29.390000000000001 110.75 171.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -54.08 35.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.752 0.31 . . . . 33.390000000000001 110.232 -179.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -54.42 -46.28 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.884 0.327 . . . . 32.549999999999997 111.884 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.99 -6.98 10.88 Favored Glycine 0 N--CA 1.475 1.281 0 N-CA-C 119.227 2.451 . . . . 37.600000000000001 119.227 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.03 -22.73 42.08 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 112.762 0.653 . . . . 43.840000000000003 112.762 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.97 154.85 40.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.235 0.457 . . . . 54.640000000000001 112.235 171.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -28.78 58.12 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.851 0.358 . . . . 55.159999999999997 111.409 178.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.0 p -77.73 -1.25 30.31 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.94 1.089 . . . . 45.450000000000003 113.94 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.22 65.04 7.16 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.467 0.651 . . . . 40.609999999999999 112.755 -174.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 77.1 p -84.03 156.54 22.2 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.431 -0.804 . . . . 36.490000000000002 111.199 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' B' ' 229' ' ' HOH . 54.5 tp -53.43 -39.33 64.3 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.33 -0.548 . . . . 38.109999999999999 110.677 171.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -70.37 -37.8 74.64 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.552 0.575 . . . . 37.579999999999998 112.552 -174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.77 73.88 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.545 0.528 . . . . 29.710000000000001 110.899 168.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.7 tp -67.51 -46.03 74.06 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.808 0.813 . . . . 30.18 111.542 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -55.4 -44.81 76.5 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.432 -0.803 . . . . 27.390000000000001 111.685 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.63 78.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.831 0.678 . . . . 26.140000000000001 112.831 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.28 78.04 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 120.301 -0.56 . . . . 25.609999999999999 109.793 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.93 -41.53 97.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.106 1.15 . . . . 27.420000000000002 114.106 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 mtm105 -60.63 -48.04 83.53 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.704 -0.48 . . . . 29.850000000000001 109.704 171.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' B' ' 215' ' ' HOH . 98.1 mtt180 -63.55 -18.71 64.15 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 113.005 0.743 . . . . 51.0 113.005 -176.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ILE . . . . . 0.819 HD13 ' HB2' ' B' ' 31' ' ' GLU . 0.8 OUTLIER -99.57 8.73 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.341 0.656 . . . . 37.280000000000001 110.915 -178.483 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 69.89 28.18 4.31 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.71 1.004 . . . . 49.840000000000003 113.71 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -114.68 45.01 1.64 Allowed 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.877 0.846 . . . . 48.579999999999998 111.173 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.51 61.28 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.234 -0.894 . . . . 37.899999999999999 109.834 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -56.73 -37.25 70.72 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.467 0.543 . . . . 46.770000000000003 112.467 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 76.8 mt -68.64 -42.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 123.038 0.212 . . . . 40.07 110.598 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.0 t -54.66 -54.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 123.379 0.424 . . . . 39.560000000000002 111.856 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.65 -50.98 53.18 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 120.749 0.309 . . . . 55.289999999999999 110.398 177.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -57.0 -47.24 81.29 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.431 -0.804 . . . . 49.789999999999999 112.394 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LEU . . . . . 0.579 HD21 HD12 ' B' ' 19' ' ' LEU . 30.6 mt -68.1 -29.08 67.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.23 -0.588 . . . . 51.060000000000002 111.975 -178.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' CYS . . . . . 0.709 ' SG ' ' S5 ' ' B' ' 101' ' ' MNB . 94.3 m -84.49 -34.21 23.4 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.836 0.68 . . . . 54.450000000000003 112.836 -175.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.39 -0.368 . . . . 57.25 111.261 177.399 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MNB . . . . . 0.682 ' S5 ' ' SG ' ' A' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' MNB . . . . . 0.709 ' S5 ' ' SG ' ' B' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.442 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . 0.601 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . 0.722 ' O ' ' HG2' ' A' ' 14' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.401 ' O ' ' HB2' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . 0.416 ' O ' HD11 ' B' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . 0.498 ' O ' ' HD2' ' B' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . 0.638 ' O ' ' HB3' ' B' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.193 0.52 . . . . 60.859999999999999 110.424 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.84 138.97 52.75 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.796 1.035 . . . . 54.68 113.796 -172.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.94 -41.44 87.41 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.87 0.366 . . . . 51.840000000000003 111.715 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 p -51.25 -45.33 61.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 55.109999999999999 110.756 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.4 m -57.5 -27.49 62.6 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 124.113 0.965 . . . . 56.649999999999999 111.968 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD11 HD13 ' A' ' 64' ' ' LEU . 20.4 mt -52.65 137.64 42.85 Favored Pre-proline 0 C--O 1.24 0.562 0 CA-C-N 116.263 -0.426 . . . . 57.43 110.445 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.07 145.51 96.51 Favored 'Trans proline' 0 C--O 1.243 0.748 0 O-C-N 122.986 0.992 . . . . 57.520000000000003 111.754 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 tp -45.15 -34.34 2.65 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.997 0.81 . . . . 57.670000000000002 112.987 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -39.35 83.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.192 1.182 . . . . 55.93 114.192 -174.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -81.3 -40.26 23.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.778 -0.192 . . . . 58.140000000000001 110.57 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -51.73 -40.68 60.65 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 112.547 0.573 . . . . 61.659999999999997 112.547 171.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.722 ' HG2' ' O ' ' A' ' 221' ' ' HOH . 5.2 tp10 -57.57 -41.0 80.22 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-N 115.591 -0.731 . . . . 58.700000000000003 111.062 175.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -72.87 -39.33 66.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.961 -0.563 . . . . 56.719999999999999 111.592 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.7 t -51.56 -57.46 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 109.274 -0.639 . . . . 40.57 109.274 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' OE1' ' NH2' ' B' ' 50' ' ' ARG . 85.3 mt-10 -57.46 -40.26 78.12 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 113.538 0.94 . . . . 41.350000000000001 113.538 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -60.49 -40.2 90.46 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 120.632 -0.427 . . . . 55.600000000000001 111.815 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -71.62 -28.44 63.79 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 113.676 0.991 . . . . 44.890000000000001 113.676 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.89 53.64 2.79 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-O 121.051 0.453 . . . . 46.969999999999999 109.987 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' B' ' 201' ' ' HOH . 18.0 p-10 -86.97 158.23 19.31 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 119.237 -0.985 . . . . 54.939999999999998 110.604 -172.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 -125.57 25.99 Favored Glycine 0 C--O 1.227 -0.321 0 CA-C-N 115.453 -0.794 . . . . 42.390000000000001 112.019 -177.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -83.12 -4.22 58.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.184 1.179 . . . . 48.770000000000003 114.184 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.7 m -68.49 -37.39 80.07 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.244 -0.583 . . . . 38.32 112.514 -162.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -60.59 -29.69 69.35 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.563 0.539 . . . . 33.68 112.036 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -70.52 -42.55 71.12 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.193 -0.603 . . . . 37.359999999999999 109.656 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -63.87 -45.21 90.47 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.767 -0.827 . . . . 38.32 108.767 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.4 tp -60.2 -43.26 96.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 31.07 111.077 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.762 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . . . -64.48 -41.57 96.41 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.874 0.694 . . . . 29.649999999999999 112.874 179.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.15 -47.06 68.9 Favored Glycine 0 C--O 1.223 -0.582 0 N-CA-C 110.142 -1.183 . . . . 29.199999999999999 110.142 173.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -69.75 -29.65 67.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 110.279 -0.267 . . . . 35.899999999999999 110.279 -175.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.61 -0.86 31.55 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.069 0.766 . . . . 32.490000000000002 113.069 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.19 3.38 51.15 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.598 1.399 . . . . 34.950000000000003 116.598 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -79.87 131.52 35.88 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 117.596 0.698 . . . . 37.920000000000002 112.059 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -76.26 160.71 77.26 Favored Pre-proline 0 C--O 1.24 0.58 0 N-CA-C 108.943 -0.762 . . . . 49.439999999999998 108.943 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.92 -37.48 65.58 Favored 'Trans proline' 0 C--O 1.237 0.457 0 O-C-N 122.766 0.877 . . . . 41.350000000000001 113.917 -170.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -70.41 -36.96 74.36 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.309 0.38 . . . . 50.850000000000001 111.43 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -39.87 88.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.09 -0.505 . . . . 34.740000000000002 110.668 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.762 ' CD1' ' HB3' ' A' ' 29' ' ' ALA . 1.2 mm -61.14 -50.44 80.5 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 109.302 -0.629 . . . . 36.689999999999998 109.302 175.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -52.78 -36.79 58.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.273 1.212 . . . . 41.560000000000002 114.273 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -56.59 -32.68 65.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.349 -0.387 . . . . 32.25 111.738 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -75.0 -19.94 59.86 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.463 1.283 . . . . 29.57 114.463 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.9 p -68.54 1.81 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.672 0.989 . . . . 31.420000000000002 113.672 174.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -90.15 -12.47 38.14 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-O 121.145 0.498 . . . . 32.380000000000003 110.221 176.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.42 157.92 24.79 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.91 -1.144 . . . . 43.189999999999998 107.91 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.625 -0.509 . . . . 23.890000000000001 109.625 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.4 t -142.43 73.35 20.79 Favored Pre-proline 0 C--O 1.236 0.362 0 O-C-N 123.944 0.778 . . . . 20.140000000000001 109.782 -174.975 -167.922 86.784 -117.467 105.489 2.02 104.655 85.665 -168.153 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -47.19 -43.41 25.76 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.776 1.651 . . . . 18.440000000000001 113.549 -172.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.62 -39.69 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.513 -0.475 . . . . 21.34 112.074 -175.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . 1.063 HH21 ' NH2' ' B' ' 50' ' ' ARG . 42.2 ttm180 -68.13 -43.58 78.03 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.015 -0.428 . . . . 40.130000000000003 110.413 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.76 77.59 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 24.989999999999998 109.552 -175.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tp -51.89 -52.69 47.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.956 -0.698 . . . . 32.539999999999999 110.701 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.45 -33.78 76.75 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.657 0.984 . . . . 26.210000000000001 113.657 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.95 99.17 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.841 -0.8 . . . . 28.140000000000001 108.841 175.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -68.37 -58.76 3.87 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 109.167 -0.679 . . . . 32.240000000000002 109.167 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -51.59 -44.98 62.99 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.263 0.838 . . . . 32.32 113.263 174.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.8 -7.14 5.87 Favored Glycine 0 N--CA 1.478 1.476 0 N-CA-C 118.495 2.158 . . . . 37.329999999999998 118.495 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.93 -17.62 29.16 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 113.568 0.951 . . . . 44.840000000000003 113.568 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -65.55 162.18 18.68 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.005 -0.739 . . . . 59.0 109.005 168.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 217' ' ' HOH . 4.5 t0 -81.65 -27.44 34.1 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.135 0.493 . . . . 56.990000000000002 112.249 177.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p -73.56 -5.3 39.35 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.089 0.774 . . . . 47.439999999999998 113.089 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.91 62.17 2.05 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.404 0.89 . . . . 43.68 113.404 -171.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.6 HG21 ' OD2' ' A' ' 65' ' ' ASP . 7.1 m -83.1 155.18 23.97 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.823 -0.626 . . . . 42.43 110.828 179.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 8' ' ' LEU . 37.4 tp -50.67 -42.35 56.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.999 -0.546 . . . . 38.950000000000003 110.468 168.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.6 ' OD2' HG21 ' A' ' 63' ' ' THR . 2.2 p-10 -73.17 -31.51 64.29 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 112.504 0.557 . . . . 36.600000000000001 112.504 -172.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.23 90.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 123.81 0.694 . . . . 29.120000000000001 109.581 169.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.6 tp -67.54 -48.3 67.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.385 -0.526 . . . . 30.969999999999999 110.567 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 80' ' ' VAL . 96.4 mt -55.33 -44.92 76.33 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.735 -0.666 . . . . 28.809999999999999 111.7 177.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -59.67 -40.2 87.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.501 0.556 . . . . 27.16 112.501 176.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.39 77.61 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.755 -0.778 . . . . 25.98 110.543 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.71 -38.23 90.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.041 0.756 . . . . 27.780000000000001 113.041 172.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.9 mtm105 -63.92 -44.15 93.78 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.451 -0.574 . . . . 28.859999999999999 109.451 172.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 204' ' ' HOH . 44.0 mtt180 -66.78 -23.7 66.1 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 114.137 1.162 . . . . 52.060000000000002 114.137 -176.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 pt -96.15 24.43 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.228 -0.92 . . . . 37.469999999999999 111.818 172.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 60.29 29.84 19.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.57 1.322 . . . . 51.840000000000003 114.57 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -111.47 47.69 1.0 Allowed 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.985 0.898 . . . . 52.259999999999998 112.652 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -25.84 68.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.387 -0.824 . . . . 39.460000000000001 109.786 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.98 -41.59 78.66 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.168 -0.213 . . . . 48.609999999999999 111.206 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.07 -39.3 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.099 -0.5 . . . . 39.700000000000003 112.164 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG13 HD22 ' A' ' 68' ' ' LEU . 49.0 t -63.31 -51.74 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 123.39 0.431 . . . . 39.149999999999999 110.242 174.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -53.95 -49.1 69.48 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 108.961 -0.755 . . . . 54.729999999999997 108.961 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -58.81 -45.75 89.19 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.223 -0.899 . . . . 49.130000000000003 111.861 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 mt -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.731 0.641 . . . . 50.100000000000001 112.731 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.682 ' SG ' ' S5 ' ' A' ' 101' ' ' MNB . 95.9 m -87.1 -29.87 21.54 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 113.795 1.035 . . . . 53.990000000000002 113.795 -173.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--O 1.235 0.331 0 N-CA-C 113.139 0.792 . . . . 57.409999999999997 113.139 -172.366 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 121.363 0.601 . . . . 62.020000000000003 109.533 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.4 139.08 45.66 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.194 -0.912 . . . . 55.25 112.142 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' B' ' 8' ' ' LEU . 73.5 t80 -57.28 -44.15 83.74 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.785 0.326 . . . . 51.350000000000001 111.876 176.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -52.26 -55.55 20.53 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.239 -0.437 . . . . 55.060000000000002 111.123 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -48.77 -26.07 2.17 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.873 1.064 . . . . 58.340000000000003 113.873 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.434 HD11 HD13 ' B' ' 64' ' ' LEU . 25.7 mt -49.17 138.79 13.73 Favored Pre-proline 0 C--O 1.24 0.598 0 N-CA-C 111.929 0.344 . . . . 57.810000000000002 111.929 178.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' HD2' ' B' ' 12' ' ' LYS . 10.4 Cg_endo -58.44 137.47 80.55 Favored 'Trans proline' 0 C--O 1.242 0.695 0 C-N-CA 120.989 1.126 . . . . 57.789999999999999 112.647 177.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 29.3 tp -43.39 -40.77 3.86 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.006 -0.997 . . . . 57.829999999999998 112.618 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -70.66 -25.09 62.84 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 114.663 1.357 . . . . 56.369999999999997 114.663 -173.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' B' ' 9' ' ' PRO . 46.4 mttt -83.53 -39.41 20.47 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.448 0.467 . . . . 58.289999999999999 110.779 171.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -57.04 -37.86 72.38 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 123.588 0.555 . . . . 59.399999999999999 111.913 174.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -53.86 -46.32 71.24 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.853 -0.612 . . . . 59.689999999999998 112.121 169.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -63.4 -46.36 86.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.846 0.355 . . . . 53.109999999999999 111.444 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 46.5 t -50.59 -59.62 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 115.37 -0.832 . . . . 40.359999999999999 109.561 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -54.26 -42.82 70.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.515 0.931 . . . . 39.810000000000002 113.515 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -63.75 -41.37 98.03 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.572 0.701 . . . . 57.609999999999999 110.407 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.579 HD12 HD21 ' B' ' 83' ' ' LEU . 54.1 mt -67.53 -29.65 69.1 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.316 -0.857 . . . . 45.030000000000001 113.152 -179.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 13.5 mt -86.66 57.7 4.64 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.954 0.784 . . . . 46.850000000000001 110.349 173.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -77.28 154.77 32.6 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.54 -0.864 . . . . 51.009999999999998 112.597 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.93 -130.65 22.54 Favored Glycine 0 C--O 1.219 -0.814 0 CA-C-N 115.456 -0.793 . . . . 42.619999999999997 113.387 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.02 -10.09 59.15 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 115.109 1.522 . . . . 49.119999999999997 115.109 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -60.0 -43.11 95.39 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 112.637 0.606 . . . . 37.859999999999999 112.637 -161.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -60.76 -28.4 68.7 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 123.783 0.677 . . . . 32.700000000000003 112.76 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -68.7 -46.5 68.84 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.621 -0.511 . . . . 35.460000000000001 109.621 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -60.69 -44.61 96.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.78 -0.646 . . . . 38.020000000000003 111.214 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.03 -48.07 82.92 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 123.477 0.486 . . . . 30.73 111.748 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.65 90.95 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.303 0.573 . . . . 28.859999999999999 111.93 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.96 -44.9 82.69 Favored Glycine 0 C--O 1.227 -0.301 0 N-CA-C 111.001 -0.839 . . . . 28.949999999999999 111.001 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.819 ' HB2' HD13 ' B' ' 74' ' ' ILE . 34.5 tp10 -71.55 -23.9 61.84 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.747 -0.464 . . . . 33.009999999999998 109.747 -176.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -85.88 -1.35 57.19 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.74 0.645 . . . . 31.09 112.74 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.5 -9.52 32.8 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 116.818 1.487 . . . . 34.729999999999997 116.818 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -74.52 135.99 42.18 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 122.219 -0.577 . . . . 38.729999999999997 110.798 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -79.71 164.89 51.12 Favored Pre-proline 0 C--O 1.239 0.506 0 O-C-N 123.604 0.565 . . . . 51.539999999999999 110.776 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.5 -41.52 47.89 Favored 'Trans proline' 0 C--O 1.242 0.677 0 O-C-N 122.659 0.821 . . . . 41.799999999999997 113.2 -172.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -72.63 -33.3 66.54 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.516 0.561 . . . . 48.899999999999999 112.516 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.25 -42.32 98.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.582 -0.525 . . . . 35.600000000000001 109.582 170.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.23 -46.93 89.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-O 121.186 0.517 . . . . 37.659999999999997 110.509 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -50.7 -30.0 12.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.201 1.186 . . . . 41.060000000000002 114.201 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -68.35 -31.86 71.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.74 0.305 . . . . 31.98 111.423 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -70.57 -22.09 62.62 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.86 1.43 . . . . 29.43 114.86 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.3 p -60.29 -10.1 4.26 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.71 1.004 . . . . 32.560000000000002 113.71 171.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -82.34 -17.68 44.82 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.812 -0.755 . . . . 31.530000000000001 111.535 177.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.54 159.28 26.94 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.335 -0.987 . . . . 44.240000000000002 108.335 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.11 61.44 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.776 -0.369 . . . . 22.25 110.534 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 19.1 t -141.53 73.91 24.08 Favored Pre-proline 0 CA--C 1.517 -0.289 0 N-CA-C 108.707 -0.849 . . . . 18.260000000000002 108.707 -177.048 -168.153 85.665 -117.467 104.655 2.02 105.489 86.784 -167.922 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.73 -40.06 47.39 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.283 1.322 . . . . 19.739999999999998 112.808 -171.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.5 p -67.5 -42.16 86.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 119.214 -0.994 . . . . 22.100000000000001 110.442 -171.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.063 ' NH2' HH21 ' A' ' 50' ' ' ARG . 43.3 ttm180 -65.36 -44.06 88.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.12 0.486 . . . . 44.109999999999999 109.957 179.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 25.289999999999999 109.975 -175.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -51.37 65.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.021 -0.672 . . . . 30.5 112.651 172.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.09 -38.15 90.05 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.409 0.522 . . . . 25.77 112.409 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.7 89.43 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 120.416 -0.514 . . . . 29.390000000000001 110.75 171.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -54.08 35.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.752 0.31 . . . . 33.390000000000001 110.232 -179.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -54.42 -46.28 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.884 0.327 . . . . 32.549999999999997 111.884 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.99 -6.98 10.88 Favored Glycine 0 N--CA 1.475 1.281 0 N-CA-C 119.227 2.451 . . . . 37.600000000000001 119.227 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.03 -22.73 42.08 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 112.762 0.653 . . . . 43.840000000000003 112.762 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -66.97 154.85 40.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.235 0.457 . . . . 54.640000000000001 112.235 171.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -28.78 58.12 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.851 0.358 . . . . 55.159999999999997 111.409 178.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.0 p -77.73 -1.25 30.31 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.94 1.089 . . . . 45.450000000000003 113.94 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.22 65.04 7.16 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.467 0.651 . . . . 40.609999999999999 112.755 -174.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 77.1 p -84.03 156.54 22.2 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.431 -0.804 . . . . 36.490000000000002 111.199 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' B' ' 229' ' ' HOH . 54.5 tp -53.43 -39.33 64.3 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.33 -0.548 . . . . 38.109999999999999 110.677 171.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -70.37 -37.8 74.64 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.552 0.575 . . . . 37.579999999999998 112.552 -174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.77 73.88 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.545 0.528 . . . . 29.710000000000001 110.899 168.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.7 tp -67.51 -46.03 74.06 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.808 0.813 . . . . 30.18 111.542 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -55.4 -44.81 76.5 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.432 -0.803 . . . . 27.390000000000001 111.685 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.63 78.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.831 0.678 . . . . 26.140000000000001 112.831 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.28 78.04 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 120.301 -0.56 . . . . 25.609999999999999 109.793 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.93 -41.53 97.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.106 1.15 . . . . 27.420000000000002 114.106 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 mtm105 -60.63 -48.04 83.53 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.704 -0.48 . . . . 29.850000000000001 109.704 171.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' B' ' 215' ' ' HOH . 98.1 mtt180 -63.55 -18.71 64.15 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 113.005 0.743 . . . . 51.0 113.005 -176.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.819 HD13 ' HB2' ' B' ' 31' ' ' GLU . 0.8 OUTLIER -99.57 8.73 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.341 0.656 . . . . 37.280000000000001 110.915 -178.483 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 69.89 28.18 4.31 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.71 1.004 . . . . 49.840000000000003 113.71 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -114.68 45.01 1.64 Allowed 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.877 0.846 . . . . 48.579999999999998 111.173 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.51 61.28 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.234 -0.894 . . . . 37.899999999999999 109.834 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -56.73 -37.25 70.72 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.467 0.543 . . . . 46.770000000000003 112.467 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 76.8 mt -68.64 -42.45 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 123.038 0.212 . . . . 40.07 110.598 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.0 t -54.66 -54.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 123.379 0.424 . . . . 39.560000000000002 111.856 172.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.65 -50.98 53.18 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 120.749 0.309 . . . . 55.289999999999999 110.398 177.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -57.0 -47.24 81.29 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.431 -0.804 . . . . 49.789999999999999 112.394 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.579 HD21 HD12 ' B' ' 19' ' ' LEU . 30.6 mt -68.1 -29.08 67.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.23 -0.588 . . . . 51.060000000000002 111.975 -178.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.709 ' SG ' ' S5 ' ' B' ' 101' ' ' MNB . 94.3 m -84.49 -34.21 23.4 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.836 0.68 . . . . 54.450000000000003 112.836 -175.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.39 -0.368 . . . . 57.25 111.261 177.399 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MNB . . . . . 0.682 ' S5 ' ' SG ' ' A' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' MNB . . . . . 0.709 ' S5 ' ' SG ' ' B' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.442 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . 0.601 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . 0.722 ' O ' ' HG2' ' A' ' 14' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.401 ' O ' ' HB2' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . 0.416 ' O ' HD11 ' B' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . 0.498 ' O ' ' HD2' ' B' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . 0.638 ' O ' ' HB3' ' B' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_