data_3hqb_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 3hqb _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 ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.634 0 N-CA-C 114.148 1.166 . . . . 112.84 114.148 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 4' ' ' LYS . 27.0 mt -115.91 143.45 45.41 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.16 -0.473 . . . . 125.75 111.83 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -40.46 -12.19 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 120.682 3.586 . . . . 116.61 120.682 -154.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 2' ' ' LEU . 13.8 ttmt -91.5 -47.62 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.15 0.5 . . . . 97.620000000000005 110.086 174.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -52.37 -36.75 54.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.953 -1.128 . . . . 113.86 107.953 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mt -49.74 -63.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.265 -0.879 . . . . 86.5 110.221 173.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.99 -39.83 83.01 Favored 'General case' 0 CA--C 1.49 -1.34 0 N-CA-C 106.526 -1.657 . . . . 105.94 106.526 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -47.95 -38.26 16.34 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.09 -0.959 . . . . 103.58 110.271 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 mt -78.61 -44.03 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 C-N-CA 120.475 -0.49 . . . . 69.25 111.597 -176.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.26 -27.85 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.82 0.7 . . . . 57.509999999999998 111.655 -170.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . -54.36 -54.03 45.98 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.376 -0.829 . . . . 56.640000000000001 109.881 170.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -31.41 -36.36 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.996 1.319 . . . . 80.269999999999996 111.467 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -93.35 -13.38 28.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.57 2.063 . . . . 71.769999999999996 116.57 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -83.42 126.46 32.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.292 1.219 . . . . 92.030000000000001 114.292 -177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 61.63 33.23 18.28 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.428 0.633 . . . . 55.979999999999997 111.467 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -50.32 -29.7 10.41 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 113.615 0.968 . . . . 61.509999999999998 113.615 -171.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' CYS . 86.3 t -74.23 -68.89 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 115.058 -0.974 . . . . 46.549999999999997 108.901 -172.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -33.76 -58.14 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 CA-C-N 113.638 -1.619 . . . . 53.030000000000001 108.654 170.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . 0.602 ' NZ ' ' O ' ' A' ' 11' ' ' ALA . 80.5 mttt -45.26 -64.04 0.81 Allowed 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.709 -1.132 . . . . 64.120000000000005 108.846 179.185 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . 0.758 ' NZ ' ' CD ' ' B' ' 35' ' ' GLU . 32.0 mmtt -68.21 -59.19 3.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.673 0.99 . . . . 93.109999999999999 113.673 -176.093 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' VAL . 24.2 m -49.06 -24.06 1.43 Allowed 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.344 0.592 . . . . 47.0 112.043 -178.333 -79.449 -123.109 -93.279 119.957 2.04 95.076 72.472 172.082 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -75.37 -52.46 10.73 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.173 -1.411 . . . . 54.170000000000002 107.535 179.047 -179.596 68.331 -103.429 112.185 2.037 106.707 -155.163 -63.426 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -50.73 -55.13 18.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.447 0.536 . . . . 89.650000000000006 112.447 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.28 -44.74 75.95 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.883 -0.727 . . . . 83.819999999999993 109.272 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.82 -38.04 53.33 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.258 -0.883 . . . . 59.229999999999997 113.847 178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.99 -49.3 14.35 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.775 0.321 . . . . 76.040000000000006 111.572 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -40.6 125.33 2.18 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 114.785 1.402 . . . . 74.530000000000001 114.785 -176.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . 0.633 ' CG2' ' OE1' ' B' ' 60' ' ' GLN . 2.2 t -44.93 149.3 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-N 114.564 -1.198 . . . . 86.989999999999995 113.199 -170.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -166.89 109.19 0.69 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.324 -1.307 . . . . 98.670000000000002 107.928 164.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -103.1 -1.26 29.42 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 117.238 -1.785 . . . . 121.54000000000001 111.311 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.45 -19.21 42.88 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.141 -0.936 . . . . 122.91 110.667 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -139.17 142.96 37.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 114.952 1.464 . . . . 91.560000000000002 114.952 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 p -75.1 157.16 35.17 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 106.098 -1.816 . . . . 70.950000000000003 106.098 175.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -52.35 -54.27 33.93 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 107.645 -1.242 . . . . 69.129999999999995 107.645 178.428 -65.847 -71.985 -74.282 123.517 2.02 106.589 -111.235 -177.593 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 44.9 mp0 -41.93 -52.22 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.186 0.439 . . . . 87.469999999999999 112.186 -176.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -58.11 -53.33 59.47 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.089 -0.505 . . . . 75.689999999999998 110.43 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.68 -44.51 85.82 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.201 0.938 . . . . 86.090000000000003 112.527 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.91 64.77 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.883 0.697 . . . . 72.299999999999997 112.883 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.14 71.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.533 -0.303 . . . . 75.280000000000001 111.787 174.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 mtt-85 -78.93 -13.06 60.02 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.01 1.115 . . . . 105.53 114.01 -175.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.61 144.12 15.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.314 0.645 . . . . 73.700000000000003 112.675 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.1 p -122.18 16.56 10.71 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.84 1.422 . . . . 79.629999999999995 114.84 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mt -114.67 11.39 16.9 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 112.175 0.435 . . . . 70.310000000000002 112.175 -171.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.3 158.24 1.67 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.249 -1.453 . . . . 54.100000000000001 114.412 170.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . 0.621 ' O ' ' N ' ' A' ' 48' ' ' ILE . 87.9 Cg_exo -26.17 -73.8 0.03 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.551 1 C-N-CA 131.813 8.342 . . . . 50.710000000000001 113.969 -162.756 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.514 ' C ' ' O ' ' A' ' 45' ' ' PRO . 1.8 ttp180 -29.72 -65.31 0.1 Allowed 'General case' 0 C--O 1.235 0.342 0 O-C-N 124.333 1.021 . . . . 98.370000000000005 108.964 -179.25 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 t -54.43 -50.08 68.49 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.012 -0.675 . . . . 65.810000000000002 110.765 175.216 172.082 72.472 -93.279 95.076 2.04 119.957 -123.109 -79.449 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 45' ' ' PRO . 91.6 mt -51.73 -63.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 61.509999999999998 111.975 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' PRO . 49.6 mttt -47.63 -67.62 0.26 Allowed 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.747 -0.66 . . . . 61.079999999999998 111.262 174.248 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -29.34 -67.87 0.08 Allowed 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 114.783 -1.099 . . . . 45.759999999999998 110.679 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -46.03 -56.89 4.96 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.613 -1.176 . . . . 65.549999999999997 110.507 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.5 m -53.69 -66.84 0.32 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.077 -0.965 . . . . 49.140000000000001 113.126 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -37.25 -62.04 0.54 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 124.059 0.849 . . . . 41.649999999999999 109.812 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.9 m -53.86 -45.7 71.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.983 -1.008 . . . . 47.170000000000002 113.092 -179.032 -63.426 -155.163 -103.429 106.707 2.037 112.185 68.331 -179.596 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.0 t -54.27 -65.11 0.63 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.396 -0.922 . . . . 50.950000000000003 110.668 178.026 -177.593 -111.235 -74.282 106.589 2.02 123.517 -71.985 -65.847 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.8 t -49.02 -51.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.776 -0.647 . . . . 55.780000000000001 111.87 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -52.61 -63.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.419 0.628 . . . . 60.590000000000003 111.272 178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -41.76 -57.45 2.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.572 0.582 . . . . 60.090000000000003 112.572 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -46.9 -53.84 11.3 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.353 0.597 . . . . 64.959999999999994 110.144 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.04 -35.24 69.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.847 -1.069 . . . . 74.920000000000002 113.18 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.06 -30.26 66.37 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.069 -0.653 . . . . 70.579999999999998 110.53 172.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.1 mtm-85 -58.1 -23.98 56.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 118.369 -1.332 . . . . 87.900000000000006 111.768 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 C-N-CA 120.01 -0.676 . . . . 78.069999999999993 112.165 168.68 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LEU . . . . . 0.678 ' O ' ' N ' ' B' ' 4' ' ' LYS . 23.6 tp . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 115.195 1.554 . . . . 65.519999999999996 115.195 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.92 12.34 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 109.398 -0.593 . . . . 108.77 109.398 -175.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -132.2 -56.16 0.97 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.707 -1.59 . . . . 90.659999999999997 106.707 -166.136 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -24.17 43.56 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.965 -0.561 . . . . 114.73999999999999 110.771 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.5 mm -78.42 -31.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.904 0.859 . . . . 54.329999999999998 111.451 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -64.68 -44.04 91.61 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.931 -1.031 . . . . 78.590000000000003 112.651 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.54 -21.86 63.0 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.056 -1.057 . . . . 118.54000000000001 109.862 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 84.4 mt -74.96 -55.54 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.917 0 N-CA-C 107.359 -1.349 . . . . 63.020000000000003 107.359 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.99 -46.42 75.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.697 -1.138 . . . . 49.469999999999999 111.008 -177.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.48 -20.37 66.33 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 118.934 -1.107 . . . . 52.159999999999997 111.545 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -61.04 -55.69 29.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.513 -2.032 . . . . 76.670000000000002 105.513 170.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.99 -51.77 68.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.788 -1.096 . . . . 55.600000000000001 113.357 -172.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 15' ' ' HIS . 89.0 mttt -52.12 -84.23 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.86 -1.904 . . . . 82.030000000000001 105.86 171.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' B' ' 14' ' ' LYS . 45.1 t60 -16.62 -60.2 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.786 2.143 . . . . 108.59999999999999 116.786 174.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.5 -29.71 41.67 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.295 -1.503 . . . . 46.149999999999999 115.03 -175.119 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.14 -50.59 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 CA-C-O 122.086 0.946 . . . . 54.630000000000003 108.774 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -51.82 -67.93 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 113.306 -1.77 . . . . 46.5 111.219 170.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -42.17 -36.14 1.12 Allowed 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.015 -0.993 . . . . 67.609999999999999 113.4 -178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -73.07 -57.92 3.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.204 -0.999 . . . . 94.939999999999998 113.272 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 m -51.68 -26.56 9.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 122.002 0.906 . . . . 48.479999999999997 111.295 -177.928 -82.742 -130.389 -88.942 116.965 2.029 99.93 75.025 172.173 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.11 -54.89 8.4 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 118.713 -1.195 . . . . 55.030000000000001 109.562 176.89 178.159 84.321 -107.079 123.581 2.024 100.283 -175.397 -62.308 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' SG ' ' B' ' 27' ' ' CYS . 38.7 t80 -47.45 -58.08 4.59 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.095 0.474 . . . . 93.049999999999997 111.241 -176.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -55.96 -42.77 76.73 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.809 -1.182 . . . . 89.819999999999993 107.809 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.16 -37.06 58.15 Favored Glycine 0 C--O 1.215 -1.047 0 CA-C-N 115.18 -0.918 . . . . 60.359999999999999 112.762 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.31 16.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.255 -0.578 . . . . 70.420000000000002 111.6 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' B' ' 23' ' ' TYR . 1.2 m -38.08 123.73 1.13 Allowed 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.918 1.081 . . . . 75.739999999999995 113.918 -176.955 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -45.47 148.69 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 114.22 1.193 . . . . 87.260000000000005 114.22 -172.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -164.29 93.43 0.68 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 105.694 -1.965 . . . . 94.769999999999996 105.694 167.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -77.05 2.44 15.03 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 114.455 -1.248 . . . . 107.03 109.913 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.68 -15.65 19.32 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.003 -0.999 . . . . 127.56999999999999 110.195 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.85 143.36 36.72 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.001 1.482 . . . . 95.909999999999997 115.001 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' THR . . . . . 0.415 ' N ' ' OE1' ' B' ' 36' ' ' GLN . 11.0 p -75.66 156.46 34.79 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 106.033 -1.84 . . . . 72.290000000000006 106.033 176.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 90.2 m -51.76 -51.61 55.0 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.473 -1.306 . . . . 69.560000000000002 107.473 178.954 -68.235 -73.624 -88.417 94.328 2.033 123.755 -71.785 176.865 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . 0.758 ' CD ' ' NZ ' ' A' ' 20' ' ' LYS . 22.1 tt0 -43.77 -51.2 7.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 115.14 1.533 . . . . 116.87 115.14 179.276 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' B' ' 33' ' ' THR . 46.9 mt-30 -61.76 -49.59 75.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 76.980000000000004 111.365 -173.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.305 -0.861 . . . . 86.140000000000001 112.021 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -22.78 66.22 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.743 -0.383 . . . . 70.260000000000005 111.969 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.12 -27.94 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.032 0.444 . . . . 75.650000000000006 111.84 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -82.19 -12.94 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.138 0.792 . . . . 102.86 113.138 -175.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.97 140.6 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.083 0.772 . . . . 74.390000000000001 113.083 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p -131.42 43.23 3.1 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 108.606 -0.887 . . . . 77.200000000000003 108.606 172.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mt -118.08 13.0 13.78 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.315 -0.954 . . . . 65.849999999999994 112.247 -172.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.22 156.59 0.87 Allowed Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 118.158 -1.972 . . . . 52.119999999999997 113.843 170.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' B' ' 46' ' ' ARG . 82.5 Cg_exo -29.35 -77.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.504 -0.981 1 C-N-CA 132.774 8.983 . . . . 48.649999999999999 113.115 -162.279 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 45' ' ' PRO . 3.6 ttm-85 -29.87 -57.82 0.17 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 125.068 1.48 . . . . 82.329999999999998 110.348 -177.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 t -68.48 -49.45 59.67 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.223 0.535 . . . . 50.719999999999999 111.48 -179.279 172.173 75.025 -88.942 99.93 2.029 116.965 -130.389 -82.742 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.58 -65.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 58.82 111.658 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' B' ' 50' ' ' ALA . 38.1 mttt -44.9 -68.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.845 0.831 . . . . 62.25 112.685 174.227 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' B' ' 49' ' ' LYS . . . -31.89 -65.62 0.14 Allowed 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.53 -1.214 . . . . 46.119999999999997 109.336 174.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -47.91 -57.13 6.1 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.991 -1.004 . . . . 67.840000000000003 110.168 -177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.3 m -51.64 -64.45 0.81 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 113.556 0.947 . . . . 44.159999999999997 113.556 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -46.65 -43.83 17.92 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 112.512 0.56 . . . . 55.299999999999997 112.512 -172.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.16 -47.29 62.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.373 0.879 . . . . 48.890000000000001 113.373 178.949 -62.308 -175.397 -107.079 100.283 2.024 123.581 84.321 178.159 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 43.2 t -51.29 -65.23 0.59 Allowed 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.059 -1.057 . . . . 52.43 110.11 178.067 176.865 -71.785 -88.417 123.755 2.033 94.328 -73.624 -68.235 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -48.83 -51.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 112.391 0.515 . . . . 52.700000000000003 112.391 -177.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.15 -63.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.72 -0.792 . . . . 60.799999999999997 111.358 178.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -39.77 -60.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.179 0.807 . . . . 64.260000000000005 113.179 175.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 71.5 m -43.76 -56.56 3.74 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.275 0.56 . . . . 63.880000000000003 109.994 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLN . . . . . 0.633 ' OE1' ' CG2' ' A' ' 28' ' ' VAL . 16.3 mt-30 -54.67 -35.65 63.77 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.043 -0.98 . . . . 76.120000000000005 112.392 -178.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.07 -39.59 65.74 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 119.999 -0.681 . . . . 71.099999999999994 111.413 173.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -61.88 3.01 0.17 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.962 0.727 . . . . 86.140000000000001 112.962 -174.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 124.648 1.179 . . . . 85.260000000000005 112.32 170.413 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' CB ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 C--O 1.241 0.634 0 N-CA-C 114.148 1.166 . . . . 112.84 114.148 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 4' ' ' LYS . 27.0 mt -115.91 143.45 45.41 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.16 -0.473 . . . . 125.75 111.83 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -40.46 -12.19 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 120.682 3.586 . . . . 116.61 120.682 -154.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 2' ' ' LEU . 13.8 ttmt -91.5 -47.62 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.15 0.5 . . . . 97.62 110.086 174.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 8' ' ' GLU . 44.7 tttt -52.37 -36.75 54.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.953 -1.128 . . . . 113.86 107.953 176.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 7' ' ' GLU . 2.1 mt -49.74 -63.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.265 -0.879 . . . . 86.5 110.221 173.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 6' ' ' ILE . 44.9 mt-10 -58.99 -39.83 83.01 Favored 'General case' 0 CA--C 1.49 -1.34 0 N-CA-C 106.526 -1.657 . . . . 105.94 106.526 -177.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 4.3 tt0 -47.95 -38.26 16.34 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.09 -0.959 . . . . 103.58 110.271 -179.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 0.461 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 6.3 mt -78.61 -44.03 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 C-N-CA 120.475 -0.49 . . . . 69.25 111.597 -176.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.26 -27.85 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.82 0.7 . . . . 57.51 111.655 -170.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . -54.36 -54.03 45.98 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.376 -0.829 . . . . 56.64 109.881 170.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 30.8 tttt -31.41 -36.36 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.996 1.319 . . . . 80.27 111.467 175.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -93.35 -13.38 28.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.57 2.063 . . . . 71.77 116.57 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -83.42 126.46 32.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.292 1.219 . . . . 92.03 114.292 -177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.42 ' HB3' HG21 ' A' ' 18' ' ' VAL . 58.0 m-70 61.63 33.23 18.28 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.428 0.633 . . . . 55.98 111.467 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -50.32 -29.7 10.41 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 113.615 0.968 . . . . 61.51 113.615 -171.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . 0.855 ' HB ' HH21 ' A' ' 46' ' ' ARG . 86.3 t -74.23 -68.89 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 115.058 -0.974 . . . . 46.55 108.901 -172.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . 0.483 HG23 ' NH2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -33.76 -58.14 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 CA-C-N 113.638 -1.619 . . . . 53.03 108.654 170.725 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . 0.602 ' NZ ' ' O ' ' A' ' 11' ' ' ALA . 80.5 mttt -45.26 -64.04 0.81 Allowed 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.709 -1.132 . . . . 64.12 108.846 179.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . 0.758 ' NZ ' ' CD ' ' B' ' 35' ' ' GLU . 32.0 mmtt -68.21 -59.19 3.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.673 0.99 . . . . 93.11 113.673 -176.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' CYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 24.2 m -49.06 -24.06 1.43 Allowed 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.344 0.592 . . . . 47.0 112.043 -178.333 -79.449 -123.109 -93.279 119.957 2.04 95.076 72.472 172.082 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -75.37 -52.46 10.73 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.173 -1.411 . . . . 54.17 107.535 179.047 -179.596 68.331 -103.429 112.185 2.037 106.707 -155.163 -63.426 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -50.73 -55.13 18.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.447 0.536 . . . . 89.65 112.447 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.28 -44.74 75.95 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.883 -0.727 . . . . 83.82 109.272 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 55' ' ' CYS . . . -52.82 -38.04 53.33 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.258 -0.883 . . . . 59.23 113.847 178.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.99 -49.3 14.35 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.775 0.321 . . . . 76.04 111.572 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -40.6 125.33 2.18 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 114.785 1.402 . . . . 74.53 114.785 -176.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . 0.857 HG23 HE22 ' B' ' 60' ' ' GLN . 2.2 t -44.93 149.3 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-N 114.564 -1.198 . . . . 86.99 113.199 -170.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 32' ' ' GLU . 52.1 t30 -166.89 109.19 0.69 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.324 -1.307 . . . . 98.67 107.928 164.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -103.1 -1.26 29.42 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 117.238 -1.785 . . . . 121.54 111.311 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.45 -19.21 42.88 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.141 -0.936 . . . . 122.91 110.667 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 29' ' ' ASN . 40.4 mt-10 -139.17 142.96 37.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 114.952 1.464 . . . . 91.56 114.952 -177.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 p -75.1 157.16 35.17 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 106.098 -1.816 . . . . 70.95 106.098 175.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -52.35 -54.27 33.93 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 107.645 -1.242 . . . . 69.13 107.645 178.428 -65.847 -71.985 -74.282 123.517 2.02 106.589 -111.235 -177.593 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -41.93 -52.22 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.186 0.439 . . . . 87.47 112.186 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -58.11 -53.33 59.47 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.089 -0.505 . . . . 75.69 110.43 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.68 -44.51 85.82 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.201 0.938 . . . . 86.09 112.527 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.91 64.77 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.883 0.697 . . . . 72.3 112.883 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.14 71.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.533 -0.303 . . . . 75.28 111.787 174.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 mtt-85 -78.93 -13.06 60.02 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.01 1.115 . . . . 105.53 114.01 -175.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.61 144.12 15.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.314 0.645 . . . . 73.7 112.675 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . 0.523 ' C ' HD23 ' A' ' 43' ' ' LEU . 87.1 p -122.18 16.56 10.71 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.84 1.422 . . . . 79.63 114.84 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 42' ' ' SER . 1.8 mt -114.67 11.39 16.9 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 112.175 0.435 . . . . 70.31 112.175 -171.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.3 158.24 1.67 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.249 -1.453 . . . . 54.1 114.412 170.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . 0.621 ' O ' ' N ' ' A' ' 48' ' ' ILE . 87.9 Cg_exo -26.17 -73.8 0.03 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.551 1 C-N-CA 131.813 8.342 . . . . 50.71 113.969 -162.756 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.855 HH21 ' HB ' ' A' ' 17' ' ' VAL . 1.8 ttp180 -29.72 -65.31 0.1 Allowed 'General case' 0 C--O 1.235 0.342 0 O-C-N 124.333 1.021 . . . . 98.37 108.964 -179.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 t -54.43 -50.08 68.49 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.012 -0.675 . . . . 65.81 110.765 175.216 172.082 72.472 -93.279 95.076 2.04 119.957 -123.109 -79.449 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 45' ' ' PRO . 91.6 mt -51.73 -63.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 61.51 111.975 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 45' ' ' PRO . 49.6 mttt -47.63 -67.62 0.26 Allowed 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.747 -0.66 . . . . 61.08 111.262 174.248 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -29.34 -67.87 0.08 Allowed 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 114.783 -1.099 . . . . 45.76 110.679 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 48.1 t80 -46.03 -56.89 4.96 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.613 -1.176 . . . . 65.55 110.507 -178.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.5 m -53.69 -66.84 0.32 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.077 -0.965 . . . . 49.14 113.126 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -37.25 -62.04 0.54 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 124.059 0.849 . . . . 41.65 109.812 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.9 m -53.86 -45.7 71.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.983 -1.008 . . . . 47.17 113.092 -179.032 -63.426 -155.163 -103.429 106.707 2.037 112.185 68.331 -179.596 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 49.0 t -54.27 -65.11 0.63 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.396 -0.922 . . . . 50.95 110.668 178.026 -177.593 -111.235 -74.282 106.589 2.02 123.517 -71.985 -65.847 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . 0.622 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 81.8 t -49.02 -51.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.776 -0.647 . . . . 55.78 111.87 -178.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -52.61 -63.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.419 0.628 . . . . 60.59 111.272 178.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -41.76 -57.45 2.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.572 0.582 . . . . 60.09 112.572 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 71.3 m -46.9 -53.84 11.3 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.353 0.597 . . . . 64.96 110.144 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 56' ' ' VAL . 14.6 mt-30 -57.04 -35.24 69.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.847 -1.069 . . . . 74.92 113.18 -179.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.06 -30.26 66.37 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.069 -0.653 . . . . 70.58 110.53 172.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 59' ' ' SER . 30.1 mtm-85 -58.1 -23.98 56.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 118.369 -1.332 . . . . 87.9 111.768 168.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 60' ' ' GLN . . . . . . . . 0 CA--C 1.548 0.889 0 C-N-CA 120.01 -0.676 . . . . 78.07 112.165 168.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LEU . . . . . 0.777 ' C ' ' H ' ' B' ' 4' ' ' LYS . 23.6 tp . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 115.195 1.554 . . . . 65.52 115.195 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -57.92 12.34 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 109.398 -0.593 . . . . 108.77 109.398 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . 0.777 ' H ' ' C ' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -132.2 -56.16 0.97 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.707 -1.59 . . . . 90.66 106.707 -166.136 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -24.17 43.56 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.965 -0.561 . . . . 114.74 110.771 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' B' ' 9' ' ' ILE . 41.5 mm -78.42 -31.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.904 0.859 . . . . 54.33 111.451 174.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -64.68 -44.04 91.61 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.931 -1.031 . . . . 78.59 112.651 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . 0.632 ' O ' ' HE2' ' B' ' 12' ' ' LYS . 40.6 mt-10 -60.54 -21.86 63.0 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.056 -1.057 . . . . 118.54 109.862 173.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . 0.557 ' HB ' ' O ' ' B' ' 6' ' ' ILE . 84.4 mt -74.96 -55.54 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.917 0 N-CA-C 107.359 -1.349 . . . . 63.02 107.359 -179.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.99 -46.42 75.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.697 -1.138 . . . . 49.47 111.008 -177.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.48 -20.37 66.33 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 118.934 -1.107 . . . . 52.16 111.545 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . 0.632 ' HE2' ' O ' ' B' ' 8' ' ' GLU . 21.8 mmtt -61.04 -55.69 29.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.513 -2.032 . . . . 76.67 105.513 170.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TYR . . . . . 0.5 ' O ' HG23 ' B' ' 17' ' ' VAL . 1.9 t80 -59.99 -51.77 68.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.788 -1.096 . . . . 55.6 113.357 -172.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 15' ' ' HIS . 89.0 mttt -52.12 -84.23 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.86 -1.904 . . . . 82.03 105.86 171.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' B' ' 14' ' ' LYS . 45.1 t60 -16.62 -60.2 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.786 2.143 . . . . 108.6 116.786 174.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.5 -29.71 41.67 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.295 -1.503 . . . . 46.15 115.03 -175.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 13' ' ' TYR . 2.1 t -48.14 -50.59 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 CA-C-O 122.086 0.946 . . . . 54.63 108.774 174.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . 0.54 HG12 ' N ' ' B' ' 19' ' ' LYS . 23.6 t -51.82 -67.93 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 113.306 -1.77 . . . . 46.5 111.219 170.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . 0.54 ' N ' HG12 ' B' ' 18' ' ' VAL . 22.9 tttt -42.17 -36.14 1.12 Allowed 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.015 -0.993 . . . . 67.61 113.4 -178.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -73.07 -57.92 3.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.204 -0.999 . . . . 94.94 113.272 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' PHE . 12.6 m -51.68 -26.56 9.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 122.002 0.906 . . . . 48.48 111.295 -177.928 -82.742 -130.389 -88.942 116.965 2.029 99.93 75.025 172.173 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.11 -54.89 8.4 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 118.713 -1.195 . . . . 55.03 109.562 176.89 178.159 84.321 -107.079 123.581 2.024 100.283 -175.397 -62.308 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -47.45 -58.08 4.59 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.095 0.474 . . . . 93.05 111.241 -176.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -55.96 -42.77 76.73 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.809 -1.182 . . . . 89.82 107.809 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' B' ' 51' ' ' PHE . . . -54.16 -37.06 58.15 Favored Glycine 0 C--O 1.215 -1.047 0 CA-C-N 115.18 -0.918 . . . . 60.36 112.762 -179.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.31 16.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.255 -0.578 . . . . 70.42 111.6 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -38.08 123.73 1.13 Allowed 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.918 1.081 . . . . 75.74 113.918 -176.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . 0.959 HG22 HH22 ' B' ' 62' ' ' ARG . 2.4 t -45.47 148.69 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 114.22 1.193 . . . . 87.26 114.22 -172.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -164.29 93.43 0.68 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 105.694 -1.965 . . . . 94.77 105.694 167.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -77.05 2.44 15.03 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 114.455 -1.248 . . . . 107.03 109.913 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.68 -15.65 19.32 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.003 -0.999 . . . . 127.57 110.195 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.85 143.36 36.72 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.001 1.482 . . . . 95.91 115.001 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 11.0 p -75.66 156.46 34.79 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 106.033 -1.84 . . . . 72.29 106.033 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 90.2 m -51.76 -51.61 55.0 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.473 -1.306 . . . . 69.56 107.473 178.954 -68.235 -73.624 -88.417 94.328 2.033 123.755 -71.785 176.865 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . 0.758 ' CD ' ' NZ ' ' A' ' 20' ' ' LYS . 22.1 tt0 -43.77 -51.2 7.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 115.14 1.533 . . . . 116.87 115.14 179.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.76 -49.59 75.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 76.98 111.365 -173.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.305 -0.861 . . . . 86.14 112.021 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -22.78 66.22 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.743 -0.383 . . . . 70.26 111.969 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.12 -27.94 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.032 0.444 . . . . 75.65 111.84 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -82.19 -12.94 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.138 0.792 . . . . 102.86 113.138 -175.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . 0.42 HG22 ' H ' ' B' ' 43' ' ' LEU . 62.9 mt -64.97 140.6 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.083 0.772 . . . . 74.39 113.083 178.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' SER . . . . . 0.645 ' C ' HD23 ' B' ' 43' ' ' LEU . 2.0 p -131.42 43.23 3.1 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 108.606 -0.887 . . . . 77.2 108.606 172.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . 0.645 HD23 ' C ' ' B' ' 42' ' ' SER . 2.1 mt -118.08 13.0 13.78 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.315 -0.954 . . . . 65.85 112.247 -172.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.22 156.59 0.87 Allowed Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 118.158 -1.972 . . . . 52.12 113.843 170.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' PRO . . . . . 0.545 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 82.5 Cg_exo -29.35 -77.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.504 -0.981 1 C-N-CA 132.774 8.983 . . . . 48.65 113.115 -162.279 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 45' ' ' PRO . 3.6 ttm-85 -29.87 -57.82 0.17 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 125.068 1.48 . . . . 82.33 110.348 -177.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 t -68.48 -49.45 59.67 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.223 0.535 . . . . 50.72 111.48 -179.279 172.173 75.025 -88.942 99.93 2.029 116.965 -130.389 -82.742 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.58 -65.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 58.82 111.658 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 45' ' ' PRO . 38.1 mttt -44.9 -68.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.845 0.831 . . . . 62.25 112.685 174.227 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' B' ' 49' ' ' LYS . . . -31.89 -65.62 0.14 Allowed 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.53 -1.214 . . . . 46.12 109.336 174.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' PHE . . . . . 0.529 ' CE1' ' HA2' ' B' ' 25' ' ' GLY . 38.0 t80 -47.91 -57.13 6.1 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.991 -1.004 . . . . 67.84 110.168 -177.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.3 m -51.64 -64.45 0.81 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 113.556 0.947 . . . . 44.16 113.556 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . 0.485 ' O ' HG23 ' B' ' 57' ' ' VAL . 54.7 mt-10 -46.65 -43.83 17.92 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 112.512 0.56 . . . . 55.3 112.512 -172.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.16 -47.29 62.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.373 0.879 . . . . 48.89 113.373 178.949 -62.308 -175.397 -107.079 100.283 2.024 123.581 84.321 178.159 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' B' ' 25' ' ' GLY . 43.2 t -51.29 -65.23 0.59 Allowed 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.059 -1.057 . . . . 52.43 110.11 178.067 176.865 -71.785 -88.417 123.755 2.033 94.328 -73.624 -68.235 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' VAL . . . . . 0.66 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 77.7 t -48.83 -51.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 112.391 0.515 . . . . 52.7 112.391 -177.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 53' ' ' GLU . 73.4 t -53.15 -63.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.72 -0.792 . . . . 60.8 111.358 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ALA . . . . . 0.752 ' O ' ' HG2' ' B' ' 62' ' ' ARG . . . -39.77 -60.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.179 0.807 . . . . 64.26 113.179 175.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 71.5 m -43.76 -56.56 3.74 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.275 0.56 . . . . 63.88 109.994 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLN . . . . . 0.857 HE22 HG23 ' A' ' 28' ' ' VAL . 16.3 mt-30 -54.67 -35.65 63.77 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.043 -0.98 . . . . 76.12 112.392 -178.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.07 -39.59 65.74 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 119.999 -0.681 . . . . 71.1 111.413 173.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . 0.959 HH22 HG22 ' B' ' 28' ' ' VAL . 11.9 mmm-85 -61.88 3.01 0.17 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.962 0.727 . . . . 86.14 112.962 -174.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 124.648 1.179 . . . . 85.26 112.32 170.413 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' CB ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 C--O 1.241 0.634 0 N-CA-C 114.148 1.166 . . . . 112.84 114.148 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 4' ' ' LYS . 27.0 mt -115.91 143.45 45.41 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.16 -0.473 . . . . 125.75 111.83 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -40.46 -12.19 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 120.682 3.586 . . . . 116.61 120.682 -154.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 2' ' ' LEU . 13.8 ttmt -91.5 -47.62 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.15 0.5 . . . . 97.62 110.086 174.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 8' ' ' GLU . 44.7 tttt -52.37 -36.75 54.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.953 -1.128 . . . . 113.86 107.953 176.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 7' ' ' GLU . 2.1 mt -49.74 -63.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.265 -0.879 . . . . 86.5 110.221 173.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.51 ' N ' HG22 ' A' ' 6' ' ' ILE . 44.9 mt-10 -58.99 -39.83 83.01 Favored 'General case' 0 CA--C 1.49 -1.34 0 N-CA-C 106.526 -1.657 . . . . 105.94 106.526 -177.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 4.3 tt0 -47.95 -38.26 16.34 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.09 -0.959 . . . . 103.58 110.271 -179.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.461 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 6.3 mt -78.61 -44.03 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 C-N-CA 120.475 -0.49 . . . . 69.25 111.597 -176.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.26 -27.85 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.82 0.7 . . . . 57.51 111.655 -170.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . -54.36 -54.03 45.98 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.376 -0.829 . . . . 56.64 109.881 170.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 30.8 tttt -31.41 -36.36 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.996 1.319 . . . . 80.27 111.467 175.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -93.35 -13.38 28.18 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 116.57 2.063 . . . . 71.77 116.57 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -83.42 126.46 32.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.292 1.219 . . . . 92.03 114.292 -177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.42 ' HB3' HG21 ' A' ' 18' ' ' VAL . 58.0 m-70 61.63 33.23 18.28 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.428 0.633 . . . . 55.98 111.467 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.0 m -50.32 -29.7 10.41 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 113.615 0.968 . . . . 61.51 113.615 -171.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.855 ' HB ' HH21 ' A' ' 46' ' ' ARG . 86.3 t -74.23 -68.89 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-N 115.058 -0.974 . . . . 46.55 108.901 -172.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.483 HG23 ' NH2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -33.76 -58.14 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 CA-C-N 113.638 -1.619 . . . . 53.03 108.654 170.725 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.602 ' NZ ' ' O ' ' A' ' 11' ' ' ALA . 80.5 mttt -45.26 -64.04 0.81 Allowed 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 114.709 -1.132 . . . . 64.12 108.846 179.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.758 ' NZ ' ' CD ' ' B' ' 35' ' ' GLU . 32.0 mmtt -68.21 -59.19 3.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.673 0.99 . . . . 93.11 113.673 -176.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 24.2 m -49.06 -24.06 1.43 Allowed 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.344 0.592 . . . . 47.0 112.043 -178.333 -79.449 -123.109 -93.279 119.957 2.04 95.076 72.472 172.082 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -75.37 -52.46 10.73 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.173 -1.411 . . . . 54.17 107.535 179.047 -179.596 68.331 -103.429 112.185 2.037 106.707 -155.163 -63.426 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -50.73 -55.13 18.08 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.447 0.536 . . . . 89.65 112.447 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.28 -44.74 75.95 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.883 -0.727 . . . . 83.82 109.272 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 55' ' ' CYS . . . -52.82 -38.04 53.33 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.258 -0.883 . . . . 59.23 113.847 178.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.99 -49.3 14.35 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.775 0.321 . . . . 76.04 111.572 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -40.6 125.33 2.18 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 114.785 1.402 . . . . 74.53 114.785 -176.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.857 HG23 HE22 ' B' ' 60' ' ' GLN . 2.2 t -44.93 149.3 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-N 114.564 -1.198 . . . . 86.99 113.199 -170.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 32' ' ' GLU . 52.1 t30 -166.89 109.19 0.69 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.324 -1.307 . . . . 98.67 107.928 164.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -103.1 -1.26 29.42 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 117.238 -1.785 . . . . 121.54 111.311 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.45 -19.21 42.88 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.141 -0.936 . . . . 122.91 110.667 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 29' ' ' ASN . 40.4 mt-10 -139.17 142.96 37.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 114.952 1.464 . . . . 91.56 114.952 -177.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 p -75.1 157.16 35.17 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 106.098 -1.816 . . . . 70.95 106.098 175.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.2 m -52.35 -54.27 33.93 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 107.645 -1.242 . . . . 69.13 107.645 178.428 -65.847 -71.985 -74.282 123.517 2.02 106.589 -111.235 -177.593 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -41.93 -52.22 4.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.186 0.439 . . . . 87.47 112.186 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -58.11 -53.33 59.47 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 116.089 -0.505 . . . . 75.69 110.43 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.68 -44.51 85.82 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.201 0.938 . . . . 86.09 112.527 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -22.91 64.77 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.883 0.697 . . . . 72.3 112.883 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.14 71.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.533 -0.303 . . . . 75.28 111.787 174.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 mtt-85 -78.93 -13.06 60.02 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.01 1.115 . . . . 105.53 114.01 -175.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.61 144.12 15.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.314 0.645 . . . . 73.7 112.675 -179.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . 0.523 ' C ' HD23 ' A' ' 43' ' ' LEU . 87.1 p -122.18 16.56 10.71 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.84 1.422 . . . . 79.63 114.84 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 42' ' ' SER . 1.8 mt -114.67 11.39 16.9 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 112.175 0.435 . . . . 70.31 112.175 -171.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.3 158.24 1.67 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.249 -1.453 . . . . 54.1 114.412 170.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.621 ' O ' ' N ' ' A' ' 48' ' ' ILE . 87.9 Cg_exo -26.17 -73.8 0.03 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.551 1 C-N-CA 131.813 8.342 . . . . 50.71 113.969 -162.756 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.855 HH21 ' HB ' ' A' ' 17' ' ' VAL . 1.8 ttp180 -29.72 -65.31 0.1 Allowed 'General case' 0 C--O 1.235 0.342 0 O-C-N 124.333 1.021 . . . . 98.37 108.964 -179.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 t -54.43 -50.08 68.49 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.012 -0.675 . . . . 65.81 110.765 175.216 172.082 72.472 -93.279 95.076 2.04 119.957 -123.109 -79.449 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 45' ' ' PRO . 91.6 mt -51.73 -63.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 61.51 111.975 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 45' ' ' PRO . 49.6 mttt -47.63 -67.62 0.26 Allowed 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.747 -0.66 . . . . 61.08 111.262 174.248 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -29.34 -67.87 0.08 Allowed 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 114.783 -1.099 . . . . 45.76 110.679 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 48.1 t80 -46.03 -56.89 4.96 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.613 -1.176 . . . . 65.55 110.507 -178.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.5 m -53.69 -66.84 0.32 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.077 -0.965 . . . . 49.14 113.126 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -37.25 -62.04 0.54 Allowed 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 124.059 0.849 . . . . 41.65 109.812 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.9 m -53.86 -45.7 71.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.983 -1.008 . . . . 47.17 113.092 -179.032 -63.426 -155.163 -103.429 106.707 2.037 112.185 68.331 -179.596 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 49.0 t -54.27 -65.11 0.63 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 119.396 -0.922 . . . . 50.95 110.668 178.026 -177.593 -111.235 -74.282 106.589 2.02 123.517 -71.985 -65.847 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 81.8 t -49.02 -51.01 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.776 -0.647 . . . . 55.78 111.87 -178.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -52.61 -63.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.419 0.628 . . . . 60.59 111.272 178.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -41.76 -57.45 2.33 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.572 0.582 . . . . 60.09 112.572 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 71.3 m -46.9 -53.84 11.3 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.353 0.597 . . . . 64.96 110.144 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 56' ' ' VAL . 14.6 mt-30 -57.04 -35.24 69.07 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.847 -1.069 . . . . 74.92 113.18 -179.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.06 -30.26 66.37 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.069 -0.653 . . . . 70.58 110.53 172.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 59' ' ' SER . 30.1 mtm-85 -58.1 -23.98 56.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 118.369 -1.332 . . . . 87.9 111.768 168.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 60' ' ' GLN . . . . . . . . 0 CA--C 1.548 0.889 0 C-N-CA 120.01 -0.676 . . . . 78.07 112.165 168.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.777 ' C ' ' H ' ' B' ' 4' ' ' LYS . 23.6 tp . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 115.195 1.554 . . . . 65.52 115.195 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.92 12.34 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 109.398 -0.593 . . . . 108.77 109.398 -175.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.777 ' H ' ' C ' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -132.2 -56.16 0.97 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.707 -1.59 . . . . 90.66 106.707 -166.136 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -24.17 43.56 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.965 -0.561 . . . . 114.74 110.771 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' B' ' 9' ' ' ILE . 41.5 mm -78.42 -31.38 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.904 0.859 . . . . 54.33 111.451 174.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -64.68 -44.04 91.61 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.931 -1.031 . . . . 78.59 112.651 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.632 ' O ' ' HE2' ' B' ' 12' ' ' LYS . 40.6 mt-10 -60.54 -21.86 63.0 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.056 -1.057 . . . . 118.54 109.862 173.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.557 ' HB ' ' O ' ' B' ' 6' ' ' ILE . 84.4 mt -74.96 -55.54 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.917 0 N-CA-C 107.359 -1.349 . . . . 63.02 107.359 -179.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.99 -46.42 75.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.697 -1.138 . . . . 49.47 111.008 -177.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.48 -20.37 66.33 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 118.934 -1.107 . . . . 52.16 111.545 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.632 ' HE2' ' O ' ' B' ' 8' ' ' GLU . 21.8 mmtt -61.04 -55.69 29.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.513 -2.032 . . . . 76.67 105.513 170.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.5 ' O ' HG23 ' B' ' 17' ' ' VAL . 1.9 t80 -59.99 -51.77 68.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.788 -1.096 . . . . 55.6 113.357 -172.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 15' ' ' HIS . 89.0 mttt -52.12 -84.23 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.86 -1.904 . . . . 82.03 105.86 171.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' B' ' 14' ' ' LYS . 45.1 t60 -16.62 -60.2 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 116.786 2.143 . . . . 108.6 116.786 174.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.5 -29.71 41.67 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 120.295 -1.503 . . . . 46.15 115.03 -175.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 13' ' ' TYR . 2.1 t -48.14 -50.59 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 CA-C-O 122.086 0.946 . . . . 54.63 108.774 174.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.54 HG12 ' N ' ' B' ' 19' ' ' LYS . 23.6 t -51.82 -67.93 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 113.306 -1.77 . . . . 46.5 111.219 170.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.54 ' N ' HG12 ' B' ' 18' ' ' VAL . 22.9 tttt -42.17 -36.14 1.12 Allowed 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.015 -0.993 . . . . 67.61 113.4 -178.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -73.07 -57.92 3.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 119.204 -0.999 . . . . 94.94 113.272 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' PHE . 12.6 m -51.68 -26.56 9.44 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 122.002 0.906 . . . . 48.48 111.295 -177.928 -82.742 -130.389 -88.942 116.965 2.029 99.93 75.025 172.173 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.11 -54.89 8.4 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 118.713 -1.195 . . . . 55.03 109.562 176.89 178.159 84.321 -107.079 123.581 2.024 100.283 -175.397 -62.308 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -47.45 -58.08 4.59 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.095 0.474 . . . . 93.05 111.241 -176.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -55.96 -42.77 76.73 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.809 -1.182 . . . . 89.82 107.809 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' B' ' 51' ' ' PHE . . . -54.16 -37.06 58.15 Favored Glycine 0 C--O 1.215 -1.047 0 CA-C-N 115.18 -0.918 . . . . 60.36 112.762 -179.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.31 16.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.255 -0.578 . . . . 70.42 111.6 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -38.08 123.73 1.13 Allowed 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.918 1.081 . . . . 75.74 113.918 -176.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.959 HG22 HH22 ' B' ' 62' ' ' ARG . 2.4 t -45.47 148.69 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 114.22 1.193 . . . . 87.26 114.22 -172.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -164.29 93.43 0.68 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 105.694 -1.965 . . . . 94.77 105.694 167.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -77.05 2.44 15.03 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 114.455 -1.248 . . . . 107.03 109.913 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.68 -15.65 19.32 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.003 -0.999 . . . . 127.57 110.195 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.85 143.36 36.72 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 115.001 1.482 . . . . 95.91 115.001 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 11.0 p -75.66 156.46 34.79 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 106.033 -1.84 . . . . 72.29 106.033 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 90.2 m -51.76 -51.61 55.0 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.473 -1.306 . . . . 69.56 107.473 178.954 -68.235 -73.624 -88.417 94.328 2.033 123.755 -71.785 176.865 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.758 ' CD ' ' NZ ' ' A' ' 20' ' ' LYS . 22.1 tt0 -43.77 -51.2 7.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 115.14 1.533 . . . . 116.87 115.14 179.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.76 -49.59 75.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 76.98 111.365 -173.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.305 -0.861 . . . . 86.14 112.021 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -22.78 66.22 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.743 -0.383 . . . . 70.26 111.969 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.12 -27.94 69.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.032 0.444 . . . . 75.65 111.84 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtt-85 -82.19 -12.94 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.138 0.792 . . . . 102.86 113.138 -175.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.42 HG22 ' H ' ' B' ' 43' ' ' LEU . 62.9 mt -64.97 140.6 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.083 0.772 . . . . 74.39 113.083 178.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' SER . . . . . 0.645 ' C ' HD23 ' B' ' 43' ' ' LEU . 2.0 p -131.42 43.23 3.1 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 108.606 -0.887 . . . . 77.2 108.606 172.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.645 HD23 ' C ' ' B' ' 42' ' ' SER . 2.1 mt -118.08 13.0 13.78 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.315 -0.954 . . . . 65.85 112.247 -172.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.22 156.59 0.87 Allowed Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 118.158 -1.972 . . . . 52.12 113.843 170.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.545 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 82.5 Cg_exo -29.35 -77.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.504 -0.981 1 C-N-CA 132.774 8.983 . . . . 48.65 113.115 -162.279 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 45' ' ' PRO . 3.6 ttm-85 -29.87 -57.82 0.17 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 125.068 1.48 . . . . 82.33 110.348 -177.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 t -68.48 -49.45 59.67 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.223 0.535 . . . . 50.72 111.48 -179.279 172.173 75.025 -88.942 99.93 2.029 116.965 -130.389 -82.742 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.58 -65.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 58.82 111.658 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 45' ' ' PRO . 38.1 mttt -44.9 -68.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.845 0.831 . . . . 62.25 112.685 174.227 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' B' ' 49' ' ' LYS . . . -31.89 -65.62 0.14 Allowed 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.53 -1.214 . . . . 46.12 109.336 174.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' PHE . . . . . 0.529 ' CE1' ' HA2' ' B' ' 25' ' ' GLY . 38.0 t80 -47.91 -57.13 6.1 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.991 -1.004 . . . . 67.84 110.168 -177.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.3 m -51.64 -64.45 0.81 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 113.556 0.947 . . . . 44.16 113.556 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.485 ' O ' HG23 ' B' ' 57' ' ' VAL . 54.7 mt-10 -46.65 -43.83 17.92 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 112.512 0.56 . . . . 55.3 112.512 -172.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.16 -47.29 62.27 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.373 0.879 . . . . 48.89 113.373 178.949 -62.308 -175.397 -107.079 100.283 2.024 123.581 84.321 178.159 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' B' ' 25' ' ' GLY . 43.2 t -51.29 -65.23 0.59 Allowed 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.059 -1.057 . . . . 52.43 110.11 178.067 176.865 -71.785 -88.417 123.755 2.033 94.328 -73.624 -68.235 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.66 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 77.7 t -48.83 -51.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 112.391 0.515 . . . . 52.7 112.391 -177.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 53' ' ' GLU . 73.4 t -53.15 -63.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 119.72 -0.792 . . . . 60.8 111.358 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.752 ' O ' ' HG2' ' B' ' 62' ' ' ARG . . . -39.77 -60.39 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.179 0.807 . . . . 64.26 113.179 175.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 71.5 m -43.76 -56.56 3.74 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.275 0.56 . . . . 63.88 109.994 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.857 HE22 HG23 ' A' ' 28' ' ' VAL . 16.3 mt-30 -54.67 -35.65 63.77 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.043 -0.98 . . . . 76.12 112.392 -178.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.07 -39.59 65.74 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 119.999 -0.681 . . . . 71.1 111.413 173.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.959 HH22 HG22 ' B' ' 28' ' ' VAL . 11.9 mmm-85 -61.88 3.01 0.17 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.962 0.727 . . . . 86.14 112.962 -174.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 124.648 1.179 . . . . 85.26 112.32 170.413 . . . . . . . . 0 0 . 1 stop_ save_