data_3vu6_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 3vu6 _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 ' 553' ' ' ASN . . . . . . . . . . . . . 65.3 t30 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 83.359999999999999 111.632 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -63.69 -30.68 71.75 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 106.784 -1.561 . . . . 76.769999999999996 106.784 170.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 4.0 tp -61.79 -41.92 98.35 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.596 -1.184 . . . . 80.680000000000007 110.602 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.4 -34.2 75.6 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.053 -0.351 . . . . 58.659999999999997 110.053 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.46 -39.18 77.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 93.840000000000003 110.009 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.45 11.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 46.439999999999998 110.126 170.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.99 -37.97 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.476 0.547 . . . . 52.920000000000002 112.476 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -66.24 -40.06 89.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 121.402 0.62 . . . . 68.079999999999998 110.785 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.94 65.52 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.31 -0.996 . . . . 39.560000000000002 108.31 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -67.21 -38.87 86.02 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.753 -0.462 . . . . 60.210000000000001 109.753 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -61.88 -40.45 95.45 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 120.629 -0.428 . . . . 45.869999999999997 111.247 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -63.46 -40.3 96.77 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 119.888 -0.725 . . . . 71.349999999999994 109.837 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.23 -49.68 76.22 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.868 0.366 . . . . 60.850000000000001 110.212 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.7 mt -56.27 -44.68 80.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.618 0.767 . . . . 52.979999999999997 113.014 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 738' ' ' HOH . 16.7 mm100 -64.39 -34.93 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.947 -0.569 . . . . 61.07 111.137 -177.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.96 -35.63 79.03 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.522 1.304 . . . . 39.060000000000002 114.522 169.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' THR . . . . . . . . . . . . . 79.7 p -75.59 -39.46 57.96 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 119.498 -0.881 . . . . 35.170000000000002 108.997 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' VAL . . . . . . . . . . . . . 54.5 t -54.58 -47.62 71.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-O 120.842 0.353 . . . . 29.030000000000001 111.859 171.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -54.13 -51.05 65.48 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.805 -0.559 . . . . 37.649999999999999 110.511 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.08 99.6 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 121.422 0.457 . . . . 32.890000000000001 112.387 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.91 -42.66 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 112.027 0.38 . . . . 30.199999999999999 112.027 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -65.43 -37.58 87.35 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.869 0.692 . . . . 63.920000000000002 112.869 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -60.2 -41.78 93.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.4 0.619 . . . . 42.25 110.311 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.93 -38.85 61.68 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.098 -1.075 . . . . 32.969999999999999 108.098 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' GLN . . . . . 0.689 ' OE1' ' O ' ' A' ' 736' ' ' HOH . 0.0 OUTLIER -65.3 -40.19 93.5 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 119.276 -0.97 . . . . 63.259999999999998 110.643 -178.717 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.7 81.4 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 121.072 -1.018 . . . . 27.640000000000001 109.519 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -74.93 -40.19 60.96 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.623 -0.717 . . . . 39.950000000000003 110.793 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -36.29 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 118.783 -1.167 . . . . 50.979999999999997 108.985 178.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.28 -42.77 99.13 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 116.34 -0.391 . . . . 32.460000000000001 110.159 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.45 -36.04 82.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.129 0.49 . . . . 25.710000000000001 111.716 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' VAL . . . . . . . . . . . . . 7.0 t -68.36 -44.65 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 112.815 0.672 . . . . 25.43 112.815 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -58.29 -43.35 88.02 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.686 -0.487 . . . . 26.949999999999999 109.686 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.21 -43.39 86.88 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 123.528 0.731 . . . . 28.77 111.552 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -56.03 -47.6 77.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.964 -0.562 . . . . 49.420000000000002 110.766 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.2 -37.89 86.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.371 -0.83 . . . . 34.229999999999997 110.879 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -65.12 -42.02 94.34 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.494 -0.776 . . . . 76.769999999999996 109.833 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.57 -30.26 68.98 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 112.91 0.708 . . . . 34.640000000000001 112.91 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.88 -33.92 71.07 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.118 0.567 . . . . 87.0 110.772 -178.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 O-C-N 122.265 -0.272 . . . . 31.379999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 625' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 97.200000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 21.1 ttm -157.78 148.08 20.62 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.168 -0.679 . . . . 85.349999999999994 109.168 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 627' ' ' THR . . . . . . . . . . . . . 2.9 p -100.41 174.49 6.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.058 0.456 . . . . 78.590000000000003 111.274 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 628' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -75.78 -15.27 60.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.915 0.388 . . . . 56.920000000000002 111.434 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 629' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -81.52 -41.27 21.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.171 -0.678 . . . . 100.84999999999999 109.171 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 630' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.25 -36.3 81.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.665 0.603 . . . . 86.579999999999998 111.315 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 631' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.99 -51.88 66.25 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.904 -0.406 . . . . 55.229999999999997 109.904 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 632' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.48 -35.6 60.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.432 . . . . 73.920000000000002 110.39 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -80.67 -44.38 18.88 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 109.043 -0.725 . . . . 104.45 109.043 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -57.8 -43.45 85.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.821 0.343 . . . . 74.390000000000001 110.503 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 635' ' ' ILE . . . . . . . . . . . . . 25.9 mm -52.85 -44.95 49.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 112.205 0.446 . . . . 46.359999999999999 112.205 174.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -73.23 -41.32 63.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.078 0.466 . . . . 118.69 111.609 -174.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 637' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.65 -46.77 67.29 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.251 1.021 . . . . 68.730000000000004 112.157 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 638' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -82.41 -27.09 32.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.511 -0.313 . . . . 67.400000000000006 110.592 -176.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 639' ' ' THR . . . . . . . . . . . . . 70.9 m -65.74 -38.3 88.75 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 119.218 -0.993 . . . . 55.340000000000003 108.432 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -68.57 -48.47 64.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 122.461 0.304 . . . . 105.97 110.379 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -53.14 -52.0 60.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.094 -0.503 . . . . 92.099999999999994 110.489 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 642' ' ' ILE . . . . . 0.434 ' O ' HD13 ' B' ' 646' ' ' ILE . 70.8 mt -57.52 -40.78 76.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 O-C-N 122.924 0.14 . . . . 53.329999999999998 110.818 -179.368 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.01 -26.44 65.0 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.265 -0.974 . . . . 78.209999999999994 111.522 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -82.65 -32.94 27.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.533 0.206 . . . . 92.540000000000006 110.517 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -31.25 69.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.706 -0.479 . . . . 57.990000000000002 109.706 174.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 646' ' ' ILE . . . . . 0.434 HD13 ' O ' ' B' ' 642' ' ' ILE . 1.1 mp -70.79 -35.62 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 120.332 -0.547 . . . . 71.069999999999993 111.936 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -73.74 -46.44 45.91 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.6 -0.44 . . . . 114.39 109.953 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 648' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -51.78 -59.94 3.74 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.187 -0.301 . . . . 108.05 110.187 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 106.914 -1.513 . . . . 74.849999999999994 106.914 166.036 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 728' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 729' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 730' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 731' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 732' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 733' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 734' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 735' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 736' ' ' HOH . . . . . 0.689 ' O ' ' OE1' ' A' ' 577' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 737' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 738' ' ' HOH . . . . . 0.425 ' O ' ' O ' ' A' ' 567' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 739' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 740' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 741' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 742' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 743' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 744' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 65.3 t30 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 69.46 111.632 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 554' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -63.69 -30.68 71.75 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 106.784 -1.561 . . . . 63.97 106.784 170.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 4.0 tp -61.79 -41.92 98.35 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.596 -1.184 . . . . 67.23 110.602 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.4 -34.2 75.6 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.053 -0.351 . . . . 48.88 110.053 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.46 -39.18 77.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 78.2 110.009 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 558' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.45 11.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 38.7 110.126 170.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 559' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.99 -37.97 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.476 0.547 . . . . 44.1 112.476 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -66.24 -40.06 89.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 121.402 0.62 . . . . 68.08 110.785 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.94 65.52 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.31 -0.996 . . . . 39.56 108.31 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -67.21 -38.87 86.02 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.753 -0.462 . . . . 50.18 109.753 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -61.88 -40.45 95.45 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 120.629 -0.428 . . . . 39.28 111.247 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -63.46 -40.3 96.77 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 119.888 -0.725 . . . . 59.46 109.837 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.23 -49.68 76.22 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.868 0.366 . . . . 50.71 110.212 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.7 mt -56.27 -44.68 80.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.618 0.767 . . . . 44.15 113.014 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 567' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 738' ' ' HOH . 16.7 mm100 -64.39 -34.93 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.947 -0.569 . . . . 61.07 111.137 -177.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.96 -35.63 79.03 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.522 1.304 . . . . 33.74 114.522 169.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 569' ' ' THR . . . . . . . . . . . . . 79.7 p -75.59 -39.46 57.96 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 119.498 -0.881 . . . . 29.31 108.997 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 570' ' ' VAL . . . . . . . . . . . . . 54.5 t -54.58 -47.62 71.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-O 120.842 0.353 . . . . 26.16 111.859 171.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 571' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -54.13 -51.05 65.48 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.805 -0.559 . . . . 31.37 110.511 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.08 99.6 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 121.422 0.457 . . . . 27.41 112.387 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.91 -42.66 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 112.027 0.38 . . . . 28.22 112.027 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -65.43 -37.58 87.35 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.869 0.692 . . . . 53.27 112.869 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -60.2 -41.78 93.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.4 0.619 . . . . 42.25 110.311 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.93 -38.85 61.68 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.098 -1.075 . . . . 27.48 108.098 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 577' ' ' GLN . . . . . 0.832 ' NE2' ' O ' ' A' ' 736' ' ' HOH . 0.0 OUTLIER -65.3 -40.19 93.5 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 119.276 -0.97 . . . . 63.26 110.643 -178.717 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.7 81.4 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 121.072 -1.018 . . . . 23.03 109.519 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -74.93 -40.19 60.96 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.623 -0.717 . . . . 33.29 110.793 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 580' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -36.29 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 118.783 -1.167 . . . . 42.49 108.985 178.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.28 -42.77 99.13 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 116.34 -0.391 . . . . 27.05 110.159 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.45 -36.04 82.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.129 0.49 . . . . 25.71 111.716 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 583' ' ' VAL . . . . . . . . . . . . . 7.0 t -68.36 -44.65 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 112.815 0.672 . . . . 21.37 112.815 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -58.29 -43.35 88.02 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.686 -0.487 . . . . 26.95 109.686 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.21 -43.39 86.88 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 123.528 0.731 . . . . 24.89 111.552 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 586' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -56.03 -47.6 77.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.964 -0.562 . . . . 41.18 110.766 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.2 -37.89 86.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.371 -0.83 . . . . 28.64 110.879 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -65.12 -42.02 94.34 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.494 -0.776 . . . . 63.97 109.833 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.57 -30.26 68.98 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 112.91 0.708 . . . . 34.64 112.91 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.88 -33.92 71.07 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.118 0.567 . . . . 72.5 110.772 -178.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 O-C-N 122.265 -0.272 . . . . 31.38 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 625' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 97.2 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 21.1 ttm -157.78 148.08 20.62 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.168 -0.679 . . . . 71.12 109.168 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 627' ' ' THR . . . . . . . . . . . . . 2.9 p -100.41 174.49 6.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.058 0.456 . . . . 65.49 111.274 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 628' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -75.78 -15.27 60.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.915 0.388 . . . . 51.75 111.434 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 629' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -81.52 -41.27 21.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.171 -0.678 . . . . 100.85 109.171 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 630' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.25 -36.3 81.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.665 0.603 . . . . 76.97 111.315 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 631' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.99 -51.88 66.25 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.904 -0.406 . . . . 46.03 109.904 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 632' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.48 -35.6 60.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.432 . . . . 73.92 110.39 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -80.67 -44.38 18.88 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 109.043 -0.725 . . . . 87.04 109.043 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -57.8 -43.45 85.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.821 0.343 . . . . 61.99 110.503 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 635' ' ' ILE . . . . . . . . . . . . . 25.9 mm -52.85 -44.95 49.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 112.205 0.446 . . . . 44.01 112.205 174.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -73.23 -41.32 63.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.078 0.466 . . . . 118.69 111.609 -174.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 637' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.65 -46.77 67.29 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.251 1.021 . . . . 68.73 112.157 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 638' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -82.41 -27.09 32.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.511 -0.313 . . . . 56.17 110.592 -176.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 639' ' ' THR . . . . . . . . . . . . . 70.9 m -65.74 -38.3 88.75 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 119.218 -0.993 . . . . 47.04 108.432 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -68.57 -48.47 64.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 122.461 0.304 . . . . 88.31 110.379 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -53.14 -52.0 60.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.094 -0.503 . . . . 76.75 110.489 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 642' ' ' ILE . . . . . 0.441 ' O ' HD13 ' B' ' 646' ' ' ILE . 70.8 mt -57.52 -40.78 76.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 O-C-N 122.924 0.14 . . . . 44.44 110.818 -179.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.01 -26.44 65.0 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.265 -0.974 . . . . 76.09 111.522 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -82.65 -32.94 27.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.533 0.206 . . . . 92.54 110.517 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -31.25 69.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.706 -0.479 . . . . 52.98 109.706 174.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 646' ' ' ILE . . . . . 0.441 HD13 ' O ' ' B' ' 642' ' ' ILE . 1.1 mp -70.79 -35.62 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 120.332 -0.547 . . . . 59.22 111.936 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -73.74 -46.44 45.91 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.6 -0.44 . . . . 95.32 109.953 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 648' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -51.78 -59.94 3.74 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.187 -0.301 . . . . 90.04 110.187 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 106.914 -1.513 . . . . 62.37 106.914 166.036 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 728' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 729' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 730' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 731' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 732' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 733' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 734' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 735' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 736' ' ' HOH . . . . . 0.832 ' O ' ' NE2' ' A' ' 577' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 737' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 738' ' ' HOH . . . . . 0.425 ' O ' ' O ' ' A' ' 567' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 739' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 740' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 741' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 742' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 743' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 744' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 65.3 t30 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 69.459999999999994 111.632 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -63.69 -30.68 71.75 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 106.784 -1.561 . . . . 63.969999999999999 106.784 170.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 4.0 tp -61.79 -41.92 98.35 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.596 -1.184 . . . . 67.230000000000004 110.602 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.4 -34.2 75.6 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.053 -0.351 . . . . 48.880000000000003 110.053 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.46 -39.18 77.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 78.200000000000003 110.009 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.45 11.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 38.700000000000003 110.126 170.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.99 -37.97 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.476 0.547 . . . . 44.100000000000001 112.476 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -66.24 -40.06 89.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 121.402 0.62 . . . . 68.079999999999998 110.785 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.94 65.52 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.31 -0.996 . . . . 39.560000000000002 108.31 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -67.21 -38.87 86.02 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.753 -0.462 . . . . 50.18 109.753 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -61.88 -40.45 95.45 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 120.629 -0.428 . . . . 39.280000000000001 111.247 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -63.46 -40.3 96.77 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 119.888 -0.725 . . . . 59.460000000000001 109.837 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.23 -49.68 76.22 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.868 0.366 . . . . 50.710000000000001 110.212 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.7 mt -56.27 -44.68 80.0 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.618 0.767 . . . . 44.149999999999999 113.014 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 738' ' ' HOH . 16.7 mm100 -64.39 -34.93 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.947 -0.569 . . . . 61.07 111.137 -177.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.96 -35.63 79.03 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.522 1.304 . . . . 33.740000000000002 114.522 169.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' THR . . . . . . . . . . . . . 79.7 p -75.59 -39.46 57.96 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 119.498 -0.881 . . . . 29.309999999999999 108.997 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' VAL . . . . . . . . . . . . . 54.5 t -54.58 -47.62 71.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-O 120.842 0.353 . . . . 26.16 111.859 171.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -54.13 -51.05 65.48 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.805 -0.559 . . . . 31.370000000000001 110.511 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.08 99.6 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 121.422 0.457 . . . . 27.41 112.387 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.91 -42.66 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 112.027 0.38 . . . . 28.219999999999999 112.027 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -65.43 -37.58 87.35 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.869 0.692 . . . . 53.270000000000003 112.869 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -60.2 -41.78 93.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.4 0.619 . . . . 42.25 110.311 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.93 -38.85 61.68 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.098 -1.075 . . . . 27.48 108.098 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.689 ' OE1' ' O ' ' A' ' 736' ' ' HOH . 0.0 OUTLIER -65.3 -40.19 93.5 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 119.276 -0.97 . . . . 63.259999999999998 110.643 -178.717 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.7 81.4 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 121.072 -1.018 . . . . 23.030000000000001 109.519 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -74.93 -40.19 60.96 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.623 -0.717 . . . . 33.289999999999999 110.793 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -36.29 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 118.783 -1.167 . . . . 42.490000000000002 108.985 178.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.28 -42.77 99.13 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 116.34 -0.391 . . . . 27.050000000000001 110.159 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.45 -36.04 82.43 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.129 0.49 . . . . 25.710000000000001 111.716 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' VAL . . . . . . . . . . . . . 7.0 t -68.36 -44.65 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 112.815 0.672 . . . . 21.370000000000001 112.815 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -58.29 -43.35 88.02 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.686 -0.487 . . . . 26.949999999999999 109.686 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.21 -43.39 86.88 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 123.528 0.731 . . . . 24.890000000000001 111.552 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -56.03 -47.6 77.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.964 -0.562 . . . . 41.18 110.766 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.2 -37.89 86.67 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.371 -0.83 . . . . 28.640000000000001 110.879 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -65.12 -42.02 94.34 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.494 -0.776 . . . . 63.969999999999999 109.833 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.57 -30.26 68.98 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 112.91 0.708 . . . . 34.640000000000001 112.91 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.88 -33.92 71.07 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.118 0.567 . . . . 72.5 110.772 -178.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 O-C-N 122.265 -0.272 . . . . 31.379999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 625' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 97.200000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 626' ' ' MET . . . . . . . . . . . . . 21.1 ttm -157.78 148.08 20.62 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.168 -0.679 . . . . 71.120000000000005 109.168 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 627' ' ' THR . . . . . . . . . . . . . 2.9 p -100.41 174.49 6.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.058 0.456 . . . . 65.489999999999995 111.274 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 628' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -75.78 -15.27 60.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.915 0.388 . . . . 51.75 111.434 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 629' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -81.52 -41.27 21.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.171 -0.678 . . . . 100.84999999999999 109.171 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 630' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.25 -36.3 81.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.665 0.603 . . . . 76.969999999999999 111.315 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 631' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.99 -51.88 66.25 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.904 -0.406 . . . . 46.030000000000001 109.904 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 632' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.48 -35.6 60.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.006 0.432 . . . . 73.920000000000002 110.39 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 633' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -80.67 -44.38 18.88 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 109.043 -0.725 . . . . 87.040000000000006 109.043 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -57.8 -43.45 85.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.821 0.343 . . . . 61.990000000000002 110.503 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 635' ' ' ILE . . . . . . . . . . . . . 25.9 mm -52.85 -44.95 49.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 112.205 0.446 . . . . 44.009999999999998 112.205 174.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -73.23 -41.32 63.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.078 0.466 . . . . 118.69 111.609 -174.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 637' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.65 -46.77 67.29 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.251 1.021 . . . . 68.730000000000004 112.157 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 638' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -82.41 -27.09 32.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.511 -0.313 . . . . 56.170000000000002 110.592 -176.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 639' ' ' THR . . . . . . . . . . . . . 70.9 m -65.74 -38.3 88.75 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 119.218 -0.993 . . . . 47.039999999999999 108.432 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -68.57 -48.47 64.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 122.461 0.304 . . . . 88.310000000000002 110.379 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -53.14 -52.0 60.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.094 -0.503 . . . . 76.75 110.489 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 642' ' ' ILE . . . . . 0.441 ' O ' HD13 ' B' ' 646' ' ' ILE . 70.8 mt -57.52 -40.78 76.72 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 O-C-N 122.924 0.14 . . . . 44.439999999999998 110.818 -179.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 643' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -69.01 -26.44 65.0 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.265 -0.974 . . . . 76.090000000000003 111.522 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -82.65 -32.94 27.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.533 0.206 . . . . 92.540000000000006 110.517 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -31.25 69.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.706 -0.479 . . . . 52.979999999999997 109.706 174.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.441 HD13 ' O ' ' B' ' 642' ' ' ILE . 1.1 mp -70.79 -35.62 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 120.332 -0.547 . . . . 59.219999999999999 111.936 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -73.74 -46.44 45.91 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.6 -0.44 . . . . 95.319999999999993 109.953 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 648' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -51.78 -59.94 3.74 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.187 -0.301 . . . . 90.040000000000006 110.187 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 106.914 -1.513 . . . . 62.369999999999997 106.914 166.036 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 728' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 729' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 730' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 731' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 732' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 733' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 734' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 735' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 736' ' ' HOH . . . . . 0.689 ' O ' ' OE1' ' A' ' 577' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 737' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 738' ' ' HOH . . . . . 0.425 ' O ' ' O ' ' A' ' 567' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 739' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 740' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 741' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 742' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 743' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 744' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_