data_3hfc_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 3hfc _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 ' 585' ' ' SER . . . . . 0.504 ' O ' ' NH2' ' A' ' 594' ' ' ARG . 13.3 t . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 114.447 1.277 . . . . 37.659999999999997 114.447 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . 0.299 0.1 OUTLIER -134.96 31.48 3.28 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.773 2.508 . . . . 33.030000000000001 117.773 175.95 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 43.6 p -72.56 164.18 26.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 106.199 -1.778 . . . . 29.960000000000001 106.199 172.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 1.1 mp -48.17 -47.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.601 -0.888 . . . . 32.530000000000001 108.601 169.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.79 73.19 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 116.87 1.508 . . . . 26.640000000000001 116.87 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -72.97 -38.36 66.74 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 117.188 -1.805 . . . . 22.949999999999999 109.691 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.26 -40.89 77.55 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 121.064 0.459 . . . . 21.140000000000001 111.335 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 14.5 tp -47.26 -56.18 7.24 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 120.994 -1.066 . . . . 20.629999999999999 109.35 171.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 593' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -39.54 -62.04 0.73 Allowed 'General case' 0 C--O 1.243 0.717 0 N-CA-C 115.484 1.661 . . . . 21.84 115.484 174.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 594' ' ' ARG . . . . . 0.504 ' NH2' ' O ' ' A' ' 585' ' ' SER . 12.7 mtm-85 -46.9 -52.4 14.54 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.086 1.143 . . . . 37.740000000000002 114.086 173.737 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -36.32 68.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 O-C-N 125.065 1.478 . . . . 24.460000000000001 113.301 -178.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 596' ' ' GLU . . . . . 0.429 ' OE1' ' NH1' ' C' ' 591' ' ' ARG . 2.1 mt-10 -70.69 -36.05 73.08 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.496 0.924 . . . . 33.939999999999998 113.496 172.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -59.24 -52.4 65.82 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.607 0.718 . . . . 26.370000000000001 110.826 172.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -45.82 81.41 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 106.386 -1.709 . . . . 31.460000000000001 106.386 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.86 -34.66 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 113.225 0.824 . . . . 23.93 113.225 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 600' ' ' THR . . . . . . . . . . . . . 1.3 m -66.43 -53.55 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.601 1.188 . . . . 27.469999999999999 111.495 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -63.22 -43.83 97.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.509 1.124 . . . . 36.479999999999997 110.118 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' MSE . . . . . . . . . . . . . 77.7 mtp -58.32 -38.88 77.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.252 -0.886 . . . . 46.340000000000003 112.08 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.57 -34.13 77.54 Favored 'General case' 0 CA--C 1.575 1.937 0 N-CA-C 114.785 1.402 . . . . 32.560000000000002 114.785 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -69.15 -55.81 9.53 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 113.449 0.907 . . . . 37.07 113.449 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' ARG . . . . . 0.622 ' NH2' ' OD1' ' B' ' 603' ' ' ASP . 54.5 mtm180 -47.81 -35.52 10.26 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.787 -1.561 . . . . 38.130000000000003 106.787 177.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' MSE . . . . . . . . . . . . . 39.9 tpp -63.98 -39.92 95.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.28 0.844 . . . . 56.520000000000003 113.28 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.48 -21.49 6.33 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.108 1.522 . . . . 30.0 115.108 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.61 -16.75 38.25 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 118.513 -0.756 . . . . 30.149999999999999 111.53 172.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 62.9 mt -94.5 -37.21 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.895 0 CA-C-N 119.259 0.936 . . . . 30.399999999999999 113.036 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' THR . . . . . . . . . . . . . 1.6 t -170.63 159.73 6.82 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.69 1.367 . . . . 37.689999999999998 114.69 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 CA--C 1.563 1.47 0 N-CA-C 116.325 1.972 . . . . 46.409999999999997 116.325 172.405 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 586' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 N--CA 1.516 2.848 0 N-CA-C 114.133 1.16 . . . . 45.43 114.133 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 587' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.6 164.23 0.1 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.652 1.181 . . . . 38.899999999999999 112.42 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -30.4 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.309 0.855 . . . . 33.729999999999997 113.309 175.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 589' ' ' GLY . . . . . . . . . . . . . . . -67.15 -52.41 32.3 Favored Glycine 0 C--O 1.247 0.962 0 C-N-CA 124.198 0.904 . . . . 30.27 111.695 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 590' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.92 86.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.75 0.278 . . . . 27.850000000000001 111.75 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 591' ' ' ARG . . . . . 0.581 ' NH2' ' OE2' ' C' ' 596' ' ' GLU . 45.6 mtp180 -64.69 -44.86 88.95 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 123.832 0.708 . . . . 32.729999999999997 112.689 -179.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 592' ' ' LEU . . . . . . . . . . . . . 28.9 tp -61.33 -39.0 88.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.518 0.562 . . . . 22.940000000000001 112.518 169.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 593' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.44 -39.98 94.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.806 -1.158 . . . . 20.16 109.336 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 594' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' B' ' 3' ' ' HOH . 1.5 ttp85 -72.51 -36.39 68.35 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.287 -1.746 . . . . 44.890000000000001 106.287 -170.368 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . 0.254 0.8 OUTLIER -70.91 -44.41 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 C-N-CA 118.0 -1.48 . . . . 24.510000000000002 111.721 178.431 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 596' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -51.64 -46.07 63.57 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 120.62 -1.3 . . . . 27.030000000000001 113.379 171.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 597' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -48.42 -56.9 6.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.401 -1.272 . . . . 31.140000000000001 112.289 173.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -61.11 -45.02 96.41 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 114.995 1.48 . . . . 33.5 114.995 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 599' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.08 -41.65 87.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 121.711 -0.618 . . . . 23.359999999999999 111.671 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 600' ' ' THR . . . . . . . . . . . . . 1.2 m -63.55 -43.94 95.62 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.163 0.585 . . . . 27.579999999999998 112.154 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.02 -48.84 77.07 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 123.103 1.43 . . . . 38.439999999999998 109.538 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' MSE . . . . . 0.628 ' CG ' ' CE ' ' B' ' 606' ' ' MSE . 21.5 ttp -66.7 -25.51 66.57 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 117.803 2.52 . . . . 56.07 117.803 177.422 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' ASP . . . . . 0.622 ' OD1' ' NH2' ' A' ' 605' ' ' ARG . 24.9 t0 -68.7 -34.15 75.17 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 118.586 -1.246 . . . . 40.07 111.398 176.266 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -72.55 -26.24 61.66 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 120.19 -0.604 . . . . 33.060000000000002 109.666 -177.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.758 0.823 . . . . 49.990000000000002 109.087 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' MSE . . . . . 0.628 ' CE ' ' CG ' ' B' ' 602' ' ' MSE . 2.3 mtm -72.18 -35.55 69.01 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.677 0.991 . . . . 48.810000000000002 113.677 175.81 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.07 68.69 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.3 -0.409 . . . . 33.909999999999997 110.604 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.45 -24.21 67.73 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.66 1.355 . . . . 31.329999999999998 114.66 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' ILE . . . . . . . . . . . . . 97.3 mt -97.63 -56.64 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 O-C-N 121.699 -0.626 . . . . 27.329999999999998 111.401 -171.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 610' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.455 -2.697 0 N-CA-C 105.802 -1.925 . . . . 28.460000000000001 105.802 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 586' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 N--CA 1.515 2.813 0 N-CA-C 114.253 1.205 . . . . 40.789999999999999 114.253 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 587' ' ' THR . . . . . . . . . . . . . 50.6 p -80.3 154.1 28.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.746 -0.661 . . . . 36.07 111.743 -171.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 588' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.05 -38.52 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 O-C-N 123.687 0.617 . . . . 33.520000000000003 109.608 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 589' ' ' GLY . . . . . . . . . . . . . . . -61.67 -46.54 94.03 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.365 -1.094 . . . . 31.100000000000001 110.365 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 590' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.09 84.64 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 123.416 0.686 . . . . 30.370000000000001 112.272 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 591' ' ' ARG . . . . . 0.429 ' NH1' ' OE1' ' A' ' 596' ' ' GLU . 25.7 mtm180 -64.66 -47.26 79.12 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 111.966 0.358 . . . . 37.560000000000002 111.966 179.758 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 592' ' ' LEU . . . . . . . . . . . . . 51.9 tp -54.21 -49.42 69.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 118.537 0.608 . . . . 28.18 112.121 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 593' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -56.72 -42.98 80.13 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 114.833 1.42 . . . . 37.969999999999999 114.833 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 594' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.02 -35.8 77.83 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 113.782 -1.553 . . . . 41.619999999999997 108.525 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 595' ' ' VAL . . . . . . . . . . . . 0.39 0.2 OUTLIER -83.63 -31.27 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 118.957 -1.097 . . . . 26.550000000000001 111.621 -176.76 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 596' ' ' GLU . . . . . 0.581 ' OE2' ' NH2' ' B' ' 591' ' ' ARG . 15.4 mt-10 -64.98 -32.6 74.4 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 117.665 0.211 . . . . 36.770000000000003 111.22 177.915 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 597' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -82.73 -42.54 17.9 Favored 'General case' 0 CA--C 1.484 -1.573 0 C-N-CA 119.834 -0.747 . . . . 32.090000000000003 109.134 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 598' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -55.41 -50.97 68.39 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.712 -1.131 . . . . 20.559999999999999 110.952 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 599' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.97 -44.94 51.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 121.585 -0.697 . . . . 23.329999999999998 110.096 173.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 600' ' ' THR . . . . . . . . . . . . . 48.5 m -57.49 -31.34 65.9 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.604 1.335 . . . . 26.559999999999999 114.604 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 601' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -78.39 -43.95 26.18 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.522 0.564 . . . . 28.719999999999999 112.522 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 602' ' ' MSE . . . . . . . . . . . . . 87.9 mtp -62.44 -32.5 73.37 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 124.235 1.014 . . . . 49.159999999999997 112.146 173.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -68.01 -42.35 80.82 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 118.689 -0.672 . . . . 42.920000000000002 109.766 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 604' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -68.68 -39.45 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.785 1.402 . . . . 32.82 114.785 175.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 605' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -59.03 -41.45 87.82 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.175 -1.01 . . . . 35.619999999999997 111.258 169.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 606' ' ' MSE . . . . . . . . . . . . . 5.5 mmm -53.71 -63.08 1.26 Allowed 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.835 -0.62 . . . . 66.329999999999998 110.634 172.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -49.88 -37.75 32.52 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.805 1.409 . . . . 43.299999999999997 114.805 -172.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 608' ' ' LEU . . . . . . . . . . . . . 16.2 tp -69.11 -34.67 75.43 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 124.332 1.02 . . . . 45.93 112.908 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 609' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' C' ' 610' ' ' THR . 5.2 mm -75.6 -89.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.753 0 N-CA-C 109.044 -0.725 . . . . 51.450000000000003 109.044 171.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 610' ' ' THR . . . . . 0.624 ' O ' ' CG2' ' C' ' 610' ' ' THR . 1.4 t . . . . . 0 C--O 1.24 0.6 0 O-C-N 124.712 1.258 . . . . 52.159999999999997 111.926 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . 0.424 ' O ' ' NH1' ' A' ' 605' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' HOH . . . . . 0.46 ' O ' ' NH1' ' B' ' 594' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 585' ' ' SER . . . . . 0.493 ' O ' ' NH2' ' A' ' 594' ' ' ARG . 13.3 t . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 114.447 1.277 . . . . 37.66 114.447 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . 0.299 0.1 OUTLIER -134.96 31.48 3.28 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.773 2.508 . . . . 33.03 117.773 175.95 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 43.6 p -72.56 164.18 26.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 106.199 -1.778 . . . . 29.96 106.199 172.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 1.1 mp -48.17 -47.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.601 -0.888 . . . . 32.53 108.601 169.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.79 73.19 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 116.87 1.508 . . . . 26.64 116.87 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 590' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 593' ' ' ASN . . . -72.97 -38.36 66.74 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 117.188 -1.805 . . . . 22.95 109.691 -177.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.26 -40.89 77.55 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 121.064 0.459 . . . . 21.14 111.335 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 592' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 14.5 tp -47.26 -56.18 7.24 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 120.994 -1.066 . . . . 20.63 109.35 171.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 593' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 590' ' ' ALA . 38.2 m-20 -39.54 -62.04 0.73 Allowed 'General case' 0 C--O 1.243 0.717 0 N-CA-C 115.484 1.661 . . . . 21.84 115.484 174.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 594' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 585' ' ' SER . 12.7 mtm-85 -46.9 -52.4 14.54 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.086 1.143 . . . . 37.74 114.086 173.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -36.32 68.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 O-C-N 125.065 1.478 . . . . 24.46 113.301 -178.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 596' ' ' GLU . . . . . 0.726 ' OE2' ' HD2' ' C' ' 591' ' ' ARG . 2.1 mt-10 -70.69 -36.05 73.08 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.496 0.924 . . . . 33.94 113.496 172.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -59.24 -52.4 65.82 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.607 0.718 . . . . 26.37 110.826 172.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -45.82 81.41 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 106.386 -1.709 . . . . 31.46 106.386 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.86 -34.66 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 113.225 0.824 . . . . 23.93 113.225 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 600' ' ' THR . . . . . . . . . . . . . 1.3 m -66.43 -53.55 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.601 1.188 . . . . 27.47 111.495 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -43.83 97.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.509 1.124 . . . . 36.48 110.118 179.8 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 602' ' ' MSE . . . . . 0.703 ' HB3' ' HE1' ' C' ' 602' ' ' MSE . 77.7 mtp -58.32 -38.88 77.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.252 -0.886 . . . . 46.34 112.08 177.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.57 -34.13 77.54 Favored 'General case' 0 CA--C 1.575 1.937 0 N-CA-C 114.785 1.402 . . . . 32.56 114.785 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 604' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -69.15 -55.81 9.53 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 113.449 0.907 . . . . 37.07 113.449 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 605' ' ' ARG . . . . . 0.622 ' NH2' ' OD1' ' B' ' 603' ' ' ASP . 54.5 mtm180 -47.81 -35.52 10.26 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.787 -1.561 . . . . 38.13 106.787 177.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 606' ' ' MSE . . . . . 0.577 ' HE1' ' HG2' ' C' ' 606' ' ' MSE . 39.9 tpp -63.98 -39.92 95.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.28 0.844 . . . . 56.52 113.28 -175.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.48 -21.49 6.33 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.108 1.522 . . . . 30.0 115.108 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 608' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 605' ' ' ARG . 33.5 mt -85.61 -16.75 38.25 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 118.513 -0.756 . . . . 30.15 111.53 172.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 62.9 mt -94.5 -37.21 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.895 0 CA-C-N 119.259 0.936 . . . . 30.4 113.036 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 610' ' ' THR . . . . . 0.685 ' OG1' HD11 ' C' ' 609' ' ' ILE . 1.6 t -170.63 159.73 6.82 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.69 1.367 . . . . 37.69 114.69 -176.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 CA--C 1.563 1.47 0 N-CA-C 116.325 1.972 . . . . 46.41 116.325 172.405 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 586' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 N--CA 1.516 2.848 0 N-CA-C 114.133 1.16 . . . . 45.43 114.133 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 587' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.6 164.23 0.1 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.652 1.181 . . . . 38.9 112.42 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -30.4 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.309 0.855 . . . . 33.73 113.309 175.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 589' ' ' GLY . . . . . . . . . . . . . . . -67.15 -52.41 32.3 Favored Glycine 0 C--O 1.247 0.962 0 C-N-CA 124.198 0.904 . . . . 30.27 111.695 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 590' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.92 86.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.75 0.278 . . . . 27.85 111.75 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 591' ' ' ARG . . . . . 0.581 ' NH2' ' OE2' ' C' ' 596' ' ' GLU . 45.6 mtp180 -64.69 -44.86 88.95 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 123.832 0.708 . . . . 32.73 112.689 -179.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 592' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' B' ' 596' ' ' GLU . 28.9 tp -61.33 -39.0 88.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.518 0.562 . . . . 22.94 112.518 169.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 593' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.44 -39.98 94.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.806 -1.158 . . . . 20.16 109.336 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 594' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' B' ' 3' ' ' HOH . 1.5 ttp85 -72.51 -36.39 68.35 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.287 -1.746 . . . . 44.89 106.287 -170.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . 0.254 0.8 OUTLIER -70.91 -44.41 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 C-N-CA 118.0 -1.48 . . . . 24.51 111.721 178.431 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 596' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 592' ' ' LEU . 40.7 mt-10 -51.64 -46.07 63.57 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 120.62 -1.3 . . . . 27.03 113.379 171.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 597' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -48.42 -56.9 6.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.401 -1.272 . . . . 31.14 112.289 173.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -61.11 -45.02 96.41 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 114.995 1.48 . . . . 33.5 114.995 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 599' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.08 -41.65 87.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 121.711 -0.618 . . . . 23.36 111.671 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 600' ' ' THR . . . . . . . . . . . . . 1.2 m -63.55 -43.94 95.62 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.163 0.585 . . . . 27.58 112.154 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 601' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.02 -48.84 77.07 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 123.103 1.43 . . . . 38.44 109.538 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 602' ' ' MSE . . . . . 0.882 ' HG2' ' CE ' ' B' ' 606' ' ' MSE . 21.5 ttp -66.7 -25.51 66.57 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 117.803 2.52 . . . . 56.07 117.803 177.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 603' ' ' ASP . . . . . 0.622 ' OD1' ' NH2' ' A' ' 605' ' ' ARG . 24.9 t0 -68.7 -34.15 75.17 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 118.586 -1.246 . . . . 40.07 111.398 176.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -72.55 -26.24 61.66 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 120.19 -0.604 . . . . 33.06 109.666 -177.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 605' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.758 0.823 . . . . 49.99 109.087 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 606' ' ' MSE . . . . . 0.882 ' CE ' ' HG2' ' B' ' 602' ' ' MSE . 2.3 mtm -72.18 -35.55 69.01 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.677 0.991 . . . . 48.81 113.677 175.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.07 68.69 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.3 -0.409 . . . . 33.91 110.604 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.45 -24.21 67.73 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.66 1.355 . . . . 31.33 114.66 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 609' ' ' ILE . . . . . . . . . . . . . 97.3 mt -97.63 -56.64 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 O-C-N 121.699 -0.626 . . . . 27.33 111.401 -171.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 610' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.455 -2.697 0 N-CA-C 105.802 -1.925 . . . . 28.46 105.802 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 586' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.515 2.813 0 N-CA-C 114.253 1.205 . . . . 40.79 114.253 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 587' ' ' THR . . . . . . . . . . . . . 50.6 p -80.3 154.1 28.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.746 -0.661 . . . . 36.07 111.743 -171.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 588' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.05 -38.52 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 O-C-N 123.687 0.617 . . . . 33.52 109.608 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 589' ' ' GLY . . . . . . . . . . . . . . . -61.67 -46.54 94.03 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.365 -1.094 . . . . 31.1 110.365 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 590' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.09 84.64 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 123.416 0.686 . . . . 30.37 112.272 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 591' ' ' ARG . . . . . 0.726 ' HD2' ' OE2' ' A' ' 596' ' ' GLU . 25.7 mtm180 -64.66 -47.26 79.12 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 111.966 0.358 . . . . 37.56 111.966 179.758 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 592' ' ' LEU . . . . . . . . . . . . . 51.9 tp -54.21 -49.42 69.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 118.537 0.608 . . . . 28.18 112.121 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 593' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -56.72 -42.98 80.13 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 114.833 1.42 . . . . 37.97 114.833 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 594' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.02 -35.8 77.83 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 113.782 -1.553 . . . . 41.62 108.525 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 595' ' ' VAL . . . . . 0.549 HG12 ' O ' ' C' ' 591' ' ' ARG 0.39 0.2 OUTLIER -83.63 -31.27 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 118.957 -1.097 . . . . 26.55 111.621 -176.76 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 596' ' ' GLU . . . . . 0.581 ' OE2' ' NH2' ' B' ' 591' ' ' ARG . 15.4 mt-10 -64.98 -32.6 74.4 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 117.665 0.211 . . . . 36.77 111.22 177.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 597' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' C' ' 600' ' ' THR . 32.6 m-20 -82.73 -42.54 17.9 Favored 'General case' 0 CA--C 1.484 -1.573 0 C-N-CA 119.834 -0.747 . . . . 32.09 109.134 -176.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 598' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' C' ' 598' ' ' LYS . 13.2 tppt? -55.41 -50.97 68.39 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.712 -1.131 . . . . 20.56 110.952 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 599' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.97 -44.94 51.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 121.585 -0.697 . . . . 23.33 110.096 173.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 600' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' C' ' 597' ' ' ASP . 48.5 m -57.49 -31.34 65.9 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.604 1.335 . . . . 26.56 114.604 174.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 601' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -78.39 -43.95 26.18 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.522 0.564 . . . . 28.72 112.522 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 602' ' ' MSE . . . . . 0.703 ' HE1' ' HB3' ' A' ' 602' ' ' MSE . 87.9 mtp -62.44 -32.5 73.37 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 124.235 1.014 . . . . 49.16 112.146 173.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 603' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' C' ' 606' ' ' MSE . 32.6 t0 -68.01 -42.35 80.82 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 118.689 -0.672 . . . . 42.92 109.766 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 604' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -68.68 -39.45 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.785 1.402 . . . . 32.82 114.785 175.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 605' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -59.03 -41.45 87.82 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.175 -1.01 . . . . 35.62 111.258 169.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 606' ' ' MSE . . . . . 0.577 ' HG2' ' HE1' ' A' ' 606' ' ' MSE . 5.5 mmm -53.71 -63.08 1.26 Allowed 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.835 -0.62 . . . . 66.33 110.634 172.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -49.88 -37.75 32.52 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.805 1.409 . . . . 43.3 114.805 -172.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 608' ' ' LEU . . . . . . . . . . . . . 16.2 tp -69.11 -34.67 75.43 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 124.332 1.02 . . . . 45.93 112.908 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 609' ' ' ILE . . . . . 0.685 HD11 ' OG1' ' A' ' 610' ' ' THR . 5.2 mm -75.6 -89.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.753 0 N-CA-C 109.044 -0.725 . . . . 51.45 109.044 171.708 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 610' ' ' THR . . . . . 0.778 ' O ' HG23 ' C' ' 610' ' ' THR . 1.4 t . . . . . 0 C--O 1.24 0.6 0 O-C-N 124.712 1.258 . . . . 52.16 111.926 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . 0.424 ' O ' ' NH1' ' A' ' 605' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' HOH . . . . . 0.46 ' O ' ' NH1' ' B' ' 594' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' SER . . . . . 0.493 ' O ' ' NH2' ' A' ' 594' ' ' ARG . 13.3 t . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 114.447 1.277 . . . . 37.659999999999997 114.447 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' ASN . . . . . . . . . . . . 0.299 0.1 OUTLIER -134.96 31.48 3.28 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.773 2.508 . . . . 33.030000000000001 117.773 175.95 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 43.6 p -72.56 164.18 26.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 106.199 -1.778 . . . . 29.960000000000001 106.199 172.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 1.1 mp -48.17 -47.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.601 -0.888 . . . . 32.530000000000001 108.601 169.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.79 73.19 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 116.87 1.508 . . . . 26.640000000000001 116.87 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 593' ' ' ASN . . . -72.97 -38.36 66.74 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 117.188 -1.805 . . . . 22.949999999999999 109.691 -177.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.26 -40.89 77.55 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 121.064 0.459 . . . . 21.140000000000001 111.335 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 592' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 14.5 tp -47.26 -56.18 7.24 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 120.994 -1.066 . . . . 20.629999999999999 109.35 171.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 593' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 590' ' ' ALA . 38.2 m-20 -39.54 -62.04 0.73 Allowed 'General case' 0 C--O 1.243 0.717 0 N-CA-C 115.484 1.661 . . . . 21.84 115.484 174.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 585' ' ' SER . 12.7 mtm-85 -46.9 -52.4 14.54 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.086 1.143 . . . . 37.740000000000002 114.086 173.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -36.32 68.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 O-C-N 125.065 1.478 . . . . 24.460000000000001 113.301 -178.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.726 ' OE2' ' HD2' ' C' ' 591' ' ' ARG . 2.1 mt-10 -70.69 -36.05 73.08 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.496 0.924 . . . . 33.939999999999998 113.496 172.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -59.24 -52.4 65.82 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.607 0.718 . . . . 26.370000000000001 110.826 172.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 598' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -45.82 81.41 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 106.386 -1.709 . . . . 31.460000000000001 106.386 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.86 -34.66 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 113.225 0.824 . . . . 23.93 113.225 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 600' ' ' THR . . . . . . . . . . . . . 1.3 m -66.43 -53.55 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.601 1.188 . . . . 27.469999999999999 111.495 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -63.22 -43.83 97.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.509 1.124 . . . . 36.479999999999997 110.118 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' MSE . . . . . 0.703 ' HB3' ' HE1' ' C' ' 602' ' ' MSE . 77.7 mtp -58.32 -38.88 77.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.252 -0.886 . . . . 46.340000000000003 112.08 177.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.57 -34.13 77.54 Favored 'General case' 0 CA--C 1.575 1.937 0 N-CA-C 114.785 1.402 . . . . 32.560000000000002 114.785 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -69.15 -55.81 9.53 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 113.449 0.907 . . . . 37.07 113.449 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.622 ' NH2' ' OD1' ' B' ' 603' ' ' ASP . 54.5 mtm180 -47.81 -35.52 10.26 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.787 -1.561 . . . . 38.130000000000003 106.787 177.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' MSE . . . . . 0.577 ' HE1' ' HG2' ' C' ' 606' ' ' MSE . 39.9 tpp -63.98 -39.92 95.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.28 0.844 . . . . 56.520000000000003 113.28 -175.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.48 -21.49 6.33 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.108 1.522 . . . . 30.0 115.108 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 605' ' ' ARG . 33.5 mt -85.61 -16.75 38.25 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 118.513 -0.756 . . . . 30.149999999999999 111.53 172.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' ILE . . . . . . . . . . . . . 62.9 mt -94.5 -37.21 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.895 0 CA-C-N 119.259 0.936 . . . . 30.399999999999999 113.036 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' THR . . . . . 0.685 ' OG1' HD11 ' C' ' 609' ' ' ILE . 1.6 t -170.63 159.73 6.82 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.69 1.367 . . . . 37.689999999999998 114.69 -176.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 CA--C 1.563 1.47 0 N-CA-C 116.325 1.972 . . . . 46.409999999999997 116.325 172.405 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 586' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 N--CA 1.516 2.848 0 N-CA-C 114.133 1.16 . . . . 45.43 114.133 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 587' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.6 164.23 0.1 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.652 1.181 . . . . 38.899999999999999 112.42 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -30.4 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.309 0.855 . . . . 33.729999999999997 113.309 175.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 589' ' ' GLY . . . . . . . . . . . . . . . -67.15 -52.41 32.3 Favored Glycine 0 C--O 1.247 0.962 0 C-N-CA 124.198 0.904 . . . . 30.27 111.695 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 590' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.92 86.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.75 0.278 . . . . 27.850000000000001 111.75 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 591' ' ' ARG . . . . . 0.581 ' NH2' ' OE2' ' C' ' 596' ' ' GLU . 45.6 mtp180 -64.69 -44.86 88.95 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 123.832 0.708 . . . . 32.729999999999997 112.689 -179.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 592' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' B' ' 596' ' ' GLU . 28.9 tp -61.33 -39.0 88.91 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.518 0.562 . . . . 22.940000000000001 112.518 169.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 593' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.44 -39.98 94.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 118.806 -1.158 . . . . 20.16 109.336 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 594' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' B' ' 3' ' ' HOH . 1.5 ttp85 -72.51 -36.39 68.35 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.287 -1.746 . . . . 44.890000000000001 106.287 -170.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 595' ' ' VAL . . . . . . . . . . . . 0.254 0.8 OUTLIER -70.91 -44.41 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 C-N-CA 118.0 -1.48 . . . . 24.510000000000002 111.721 178.431 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 596' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 592' ' ' LEU . 40.7 mt-10 -51.64 -46.07 63.57 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 120.62 -1.3 . . . . 27.030000000000001 113.379 171.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 597' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -48.42 -56.9 6.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.401 -1.272 . . . . 31.140000000000001 112.289 173.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 598' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -61.11 -45.02 96.41 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 114.995 1.48 . . . . 33.5 114.995 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 599' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.08 -41.65 87.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 121.711 -0.618 . . . . 23.359999999999999 111.671 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 600' ' ' THR . . . . . . . . . . . . . 1.2 m -63.55 -43.94 95.62 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.163 0.585 . . . . 27.579999999999998 112.154 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -63.02 -48.84 77.07 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 123.103 1.43 . . . . 38.439999999999998 109.538 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' MSE . . . . . 0.882 ' HG2' ' CE ' ' B' ' 606' ' ' MSE . 21.5 ttp -66.7 -25.51 66.57 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 117.803 2.52 . . . . 56.07 117.803 177.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' ASP . . . . . 0.622 ' OD1' ' NH2' ' A' ' 605' ' ' ARG . 24.9 t0 -68.7 -34.15 75.17 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 118.586 -1.246 . . . . 40.07 111.398 176.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -72.55 -26.24 61.66 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 120.19 -0.604 . . . . 33.060000000000002 109.666 -177.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.758 0.823 . . . . 49.990000000000002 109.087 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' MSE . . . . . 0.882 ' CE ' ' HG2' ' B' ' 602' ' ' MSE . 2.3 mtm -72.18 -35.55 69.01 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.677 0.991 . . . . 48.810000000000002 113.677 175.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -56.96 -35.07 68.69 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.3 -0.409 . . . . 33.909999999999997 110.604 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.45 -24.21 67.73 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.66 1.355 . . . . 31.329999999999998 114.66 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' ILE . . . . . . . . . . . . . 97.3 mt -97.63 -56.64 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 O-C-N 121.699 -0.626 . . . . 27.329999999999998 111.401 -171.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 610' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.455 -2.697 0 N-CA-C 105.802 -1.925 . . . . 28.460000000000001 105.802 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 586' ' ' ASN . . . . . 0.655 HD22 ' NH2' ' C' ' 594' ' ' ARG . 2.1 t30 . . . . . 0 N--CA 1.515 2.813 0 N-CA-C 114.253 1.205 . . . . 40.789999999999999 114.253 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 587' ' ' THR . . . . . . . . . . . . . 50.6 p -80.3 154.1 28.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.746 -0.661 . . . . 36.07 111.743 -171.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 588' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.05 -38.52 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 O-C-N 123.687 0.617 . . . . 33.520000000000003 109.608 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 589' ' ' GLY . . . . . . . . . . . . . . . -61.67 -46.54 94.03 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.365 -1.094 . . . . 31.100000000000001 110.365 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 590' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.09 84.64 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 123.416 0.686 . . . . 30.370000000000001 112.272 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 591' ' ' ARG . . . . . 0.726 ' HD2' ' OE2' ' A' ' 596' ' ' GLU . 25.7 mtm180 -64.66 -47.26 79.12 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 111.966 0.358 . . . . 37.560000000000002 111.966 179.758 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 592' ' ' LEU . . . . . . . . . . . . . 51.9 tp -54.21 -49.42 69.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 118.537 0.608 . . . . 28.18 112.121 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 593' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -56.72 -42.98 80.13 Favored 'General case' 0 C--O 1.245 0.844 0 N-CA-C 114.833 1.42 . . . . 37.969999999999999 114.833 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 594' ' ' ARG . . . . . 0.655 ' NH2' HD22 ' C' ' 586' ' ' ASN . 10.5 ttm180 -61.02 -35.8 77.83 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 113.782 -1.553 . . . . 41.619999999999997 108.525 -179.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 595' ' ' VAL . . . . . 0.549 HG12 ' O ' ' C' ' 591' ' ' ARG 0.39 0.2 OUTLIER -83.63 -31.27 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 118.957 -1.097 . . . . 26.550000000000001 111.621 -176.76 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 596' ' ' GLU . . . . . 0.581 ' OE2' ' NH2' ' B' ' 591' ' ' ARG . 15.4 mt-10 -64.98 -32.6 74.4 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 117.665 0.211 . . . . 36.770000000000003 111.22 177.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 597' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' C' ' 600' ' ' THR . 32.6 m-20 -82.73 -42.54 17.9 Favored 'General case' 0 CA--C 1.484 -1.573 0 C-N-CA 119.834 -0.747 . . . . 32.090000000000003 109.134 -176.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 598' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' C' ' 598' ' ' LYS . 13.2 tppt? -55.41 -50.97 68.39 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.712 -1.131 . . . . 20.559999999999999 110.952 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 599' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.97 -44.94 51.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 121.585 -0.697 . . . . 23.329999999999998 110.096 173.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 600' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' C' ' 597' ' ' ASP . 48.5 m -57.49 -31.34 65.9 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.604 1.335 . . . . 26.559999999999999 114.604 174.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 601' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -78.39 -43.95 26.18 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.522 0.564 . . . . 28.719999999999999 112.522 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 602' ' ' MSE . . . . . 0.703 ' HE1' ' HB3' ' A' ' 602' ' ' MSE . 87.9 mtp -62.44 -32.5 73.37 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 124.235 1.014 . . . . 49.159999999999997 112.146 173.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 603' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' C' ' 606' ' ' MSE . 32.6 t0 -68.01 -42.35 80.82 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 118.689 -0.672 . . . . 42.920000000000002 109.766 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 604' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -68.68 -39.45 80.57 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.785 1.402 . . . . 32.82 114.785 175.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 605' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -59.03 -41.45 87.82 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 119.175 -1.01 . . . . 35.619999999999997 111.258 169.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 606' ' ' MSE . . . . . 0.577 ' HG2' ' HE1' ' A' ' 606' ' ' MSE . 5.5 mmm -53.71 -63.08 1.26 Allowed 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.835 -0.62 . . . . 66.329999999999998 110.634 172.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 607' ' ' ALA . . . . . . . . . . . . . . . -49.88 -37.75 32.52 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.805 1.409 . . . . 43.299999999999997 114.805 -172.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 608' ' ' LEU . . . . . . . . . . . . . 16.2 tp -69.11 -34.67 75.43 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 124.332 1.02 . . . . 45.93 112.908 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 609' ' ' ILE . . . . . 0.685 HD11 ' OG1' ' A' ' 610' ' ' THR . 5.2 mm -75.6 -89.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.753 0 N-CA-C 109.044 -0.725 . . . . 51.450000000000003 109.044 171.708 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 610' ' ' THR . . . . . 0.778 ' O ' HG23 ' C' ' 610' ' ' THR . 1.4 t . . . . . 0 C--O 1.24 0.6 0 O-C-N 124.712 1.258 . . . . 52.159999999999997 111.926 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . 0.424 ' O ' ' NH1' ' A' ' 605' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' HOH . . . . . 0.46 ' O ' ' NH1' ' B' ' 594' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_