data_1unv_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 1unv _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 ' 8' ' ' LYS . . . . . . . . . . . . 1.112 0.0 OUTLIER . . . . . 1 N--CA 1.565 5.279 1 N-CA-C 133.176 8.213 . . . . 71.950000000000003 133.176 . . . . . . . . . 4 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.351 0.9 OUTLIER -38.6 -52.81 1.63 Allowed 'General case' 0 C--O 1.154 -3.929 0 O-C-N 116.315 -3.99 . . . . 59.329999999999998 118.334 -166.482 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.445 75.9 mm-40 -58.26 -44.61 88.46 Favored 'General case' 0 N--CA 1.395 -3.194 0 CA-C-N 112.294 -2.23 . . . . 53.68 115.535 175.707 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -55.62 16.27 Favored 'General case' 1 C--O 1.139 -4.759 0 O-C-N 125.821 1.951 . . . . 48.130000000000003 107.108 178.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 83.3 mt -39.72 -55.17 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.538 3.963 0 N-CA-C 115.84 1.793 . . . . 42.950000000000003 115.84 167.689 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.56 -43.19 75.64 Favored 'General case' 0 C--O 1.304 3.943 0 N-CA-C 117.279 2.325 . . . . 58.939999999999998 117.279 172.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 t -62.5 -48.25 80.4 Favored 'General case' 1 N--CA 1.379 -4.015 0 CA-C-N 112.139 -2.3 . . . . 43.890000000000001 105.632 -175.667 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 1.6 ' CE ' ' CD ' ' A' ' 15' ' ' LYS . 51.0 mmtt -48.39 -35.34 12.44 Favored 'General case' 1 N--CA 1.56 5.053 0 N-CA-C 118.212 2.671 . . . . 62.32 118.212 170.046 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.27 -41.06 64.07 Favored 'General case' 1 N--CA 1.377 -4.104 0 O-C-N 120.059 -1.65 . . . . 40.119999999999997 112.964 -176.946 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -53.81 -42.47 68.43 Favored 'General case' 0 N--CA 1.53 3.536 1 N-CA-C 122.153 4.131 . . . . 48.299999999999997 122.153 161.669 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' 2003 ' ' HOH . 42.8 t-80 -68.04 -37.87 81.85 Favored 'General case' 0 N--CA 1.387 -3.614 0 O-C-N 118.029 -2.919 . . . . 63.450000000000003 115.706 174.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.308 81.2 mt -52.91 -52.31 29.67 Favored 'Isoleucine or valine' 2 N--CA 1.596 6.842 0 O-C-N 119.818 -1.801 . . . . 45.420000000000002 112.923 161.148 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.99 -27.22 69.27 Favored 'General case' 1 C--O 1.34 5.855 0 N-CA-C 115.267 1.58 . . . . 71.689999999999998 115.267 176.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -74.34 -36.2 63.62 Favored 'General case' 1 N--CA 1.618 7.963 0 O-C-N 127.35 2.906 . . . . 69.900000000000006 109.787 169.615 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.37 -51.37 63.63 Favored 'General case' 1 CA--C 1.639 4.393 0 C-N-CA 116.993 -1.883 . . . . 45.109999999999999 106.85 -179.131 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.53 -42.41 78.42 Favored 'General case' 1 C--O 1.109 -6.328 0 O-C-N 120.589 -1.319 . . . . 49.990000000000002 110.662 -176.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.85 -55.7 21.16 Favored 'General case' 0 CA--C 1.613 3.386 0 O-C-N 118.82 -2.425 . . . . 56.25 108.749 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -50.08 -43.52 51.41 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 124.84 2.257 . . . . 95.519999999999996 115.769 166.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.318 97.6 mt -59.18 -48.6 86.31 Favored 'Isoleucine or valine' 1 C--O 1.311 4.308 0 O-C-N 117.483 -3.261 . . . . 54.549999999999997 114.665 179.22 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -70.24 -34.71 73.18 Favored 'General case' 0 C--O 1.166 -3.333 0 CA-C-O 112.453 -3.641 . . . . 78.980000000000004 111.191 -177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -58.41 -53.75 54.84 Favored 'General case' 0 C--O 1.165 -3.377 0 O-C-N 125.912 2.007 . . . . 82.239999999999995 111.148 162.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.81 -26.77 37.03 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 124.451 3.296 . . . . 87.299999999999997 111.985 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.84 -178.58 4.56 Favored 'General case' 0 CA--C 1.436 -3.436 0 N-CA-C 100.247 -3.983 . . . . 74.019999999999996 100.247 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.53 8.4 0.19 Allowed Glycine 1 C--O 1.303 4.422 2 C-N-CA 111.955 -4.926 . . . . 84.540000000000006 124.844 175.728 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 N--CA 1.523 3.194 0 C-N-CA 124.398 1.079 . . . . 106.65000000000001 112.107 -159.182 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . 0.618 ' OE2' ' OE1' ' B' ' 10' ' ' GLU 0.422 0.3 OUTLIER . . . . . 1 N--CA 1.564 5.266 0 N-CA-C 113.347 0.869 . . . . 115.19 113.347 . . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' B' ' 6' ' ' GLU . 17.0 t0 85.68 -144.74 0.01 OUTLIER 'General case' 1 C--O 1.324 5.011 0 CA-C-O 123.72 1.724 . . . . 89.219999999999999 111.886 156.803 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . 1.573 ' CD ' ' CE ' ' B' ' 8' ' ' LYS . 11.1 mmtt -63.52 -41.06 98.52 Favored 'General case' 0 C--O 1.169 -3.181 0 CA-C-N 109.28 -3.6 . . . . 70.430000000000007 107.112 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . 0.343 97.7 m -44.36 -48.57 9.74 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 117.136 2.273 . . . . 59.359999999999999 117.136 166.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . 0.618 ' OE1' ' OE2' ' B' ' 6' ' ' GLU . 2.5 tp10 -77.93 -29.57 50.06 Favored 'General case' 0 CA--C 1.433 -3.551 0 O-C-N 125.235 1.585 . . . . 85.670000000000002 114.29 178.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -69.57 -34.45 74.18 Favored 'General case' 0 C--O 1.175 -2.854 0 C-N-CA 115.375 -2.53 . . . . 75.799999999999997 113.28 172.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.5 -53.0 54.87 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 CA-C-N 113.351 -1.75 . . . . 45.450000000000003 109.133 174.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . 1.583 ' CD1' ' CG ' ' B' ' 13' ' ' LEU 0.44 40.9 mt -42.77 -51.15 5.48 Favored 'General case' 2 N--CA 1.57 5.53 0 N-CA-C 119.899 3.296 . . . . 46.979999999999997 119.899 167.818 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . 0.365 1.1 p -70.64 -35.03 72.69 Favored 'General case' 1 C--O 1.391 8.516 0 N-CA-C 121.254 3.798 . . . . 59.719999999999999 121.254 -178.994 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -71.49 -27.38 63.19 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 120.933 3.679 . . . . 64.790000000000006 120.933 165.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.87 -51.58 68.5 Favored 'General case' 0 CA--C 1.455 -2.708 0 O-C-N 117.481 -3.262 . . . . 37.880000000000003 115.347 159.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -56.54 -48.0 78.21 Favored 'General case' 0 C--O 1.154 -3.934 0 C-N-CA 114.504 -2.878 . . . . 47.759999999999998 109.206 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -47.24 -44.54 22.85 Favored 'General case' 1 C--O 1.342 5.946 0 N-CA-C 116.977 2.214 . . . . 58.380000000000003 116.977 173.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt -65.44 -49.23 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.556 0 O-C-N 118.599 -2.563 . . . . 46.329999999999998 115.015 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -48.92 -44.86 40.73 Favored 'General case' 0 C--N 1.395 2.562 0 O-C-N 116.524 -3.86 . . . . 44.479999999999997 110.645 172.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -61.74 -45.86 92.09 Favored 'General case' 1 CA--C 1.703 6.829 0 O-C-N 125.091 1.494 . . . . 44.299999999999997 109.557 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.56 -35.36 80.03 Favored 'General case' 0 CA--C 1.424 -3.88 0 N-CA-C 113.974 1.101 . . . . 61.490000000000002 113.974 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.15 -46.15 88.56 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 117.723 2.49 . . . . 49.609999999999999 117.723 164.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.96 91.31 Favored 'General case' 1 N--CA 1.548 4.442 0 CA-C-O 118.76 -0.638 . . . . 46.219999999999999 109.82 177.006 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.59 -44.48 96.2 Favored 'General case' 1 N--CA 1.552 4.664 0 N-CA-C 116.214 1.931 . . . . 98.150000000000006 116.214 169.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . 0.31 13.2 mt -51.96 -51.56 28.55 Favored 'Isoleucine or valine' 1 CA--C 1.404 -4.638 0 O-C-N 117.86 -3.025 . . . . 58.299999999999997 118.988 159.875 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -58.64 -40.69 84.11 Favored 'General case' 0 C--N 1.268 -2.936 0 O-C-N 120.875 -1.14 . . . . 75.049999999999997 109.764 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . 1.592 ' CE ' ' CD ' ' B' ' 28' ' ' LYS 0.31 2.2 pttt -72.07 -41.44 67.38 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-O 116.537 -1.697 . . . . 83.659999999999997 111.484 -175.235 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . 1.615 ' CD1' ' CG ' ' B' ' 29' ' ' LEU 0.304 0.0 OUTLIER -47.91 -56.14 8.25 Favored 'General case' 0 C--O 1.282 2.792 0 C-N-CA 129.413 3.085 . . . . 77.769999999999996 105.901 170.178 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 CA--C 1.598 2.817 1 N-CA-C 124.997 5.184 . . . . 70.799999999999997 124.997 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . 0.472 ' O ' ' CE1' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HE3' ' H ' ' A' ' 9' ' ' THR 1.112 0.0 OUTLIER . . . . . 1 N--CA 1.565 5.279 1 N-CA-C 133.176 8.213 . . . . 71.950000000000003 133.176 . . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . 0.421 ' H ' ' HE3' ' A' ' 8' ' ' LYS 0.351 0.9 OUTLIER -38.6 -52.81 1.63 Allowed 'General case' 0 C--O 1.154 -3.929 0 O-C-N 116.315 -3.99 . . . . 59.329999999999998 118.334 -166.482 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.445 75.9 mm-40 -58.26 -44.61 88.46 Favored 'General case' 0 N--CA 1.395 -3.194 0 CA-C-N 112.294 -2.23 . . . . 53.68 115.535 175.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -55.62 16.27 Favored 'General case' 1 C--O 1.139 -4.759 0 O-C-N 125.821 1.951 . . . . 48.130000000000003 107.108 178.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 83.3 mt -39.72 -55.17 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.538 3.963 0 N-CA-C 115.84 1.793 . . . . 42.950000000000003 115.84 167.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.56 -43.19 75.64 Favored 'General case' 0 C--O 1.304 3.943 0 N-CA-C 117.279 2.325 . . . . 58.939999999999998 117.279 172.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 t -62.5 -48.25 80.4 Favored 'General case' 1 N--CA 1.379 -4.015 0 CA-C-N 112.139 -2.3 . . . . 43.890000000000001 105.632 -175.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 1.6 ' CD ' ' CE ' ' A' ' 15' ' ' LYS . 51.0 mmtt -48.39 -35.34 12.44 Favored 'General case' 1 N--CA 1.56 5.053 0 N-CA-C 118.212 2.671 . . . . 62.32 118.212 170.046 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.27 -41.06 64.07 Favored 'General case' 1 N--CA 1.377 -4.104 0 O-C-N 120.059 -1.65 . . . . 40.119999999999997 112.964 -176.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' B' ' 15' ' ' LYS . 24.3 m-85 -53.81 -42.47 68.43 Favored 'General case' 0 N--CA 1.53 3.536 1 N-CA-C 122.153 4.131 . . . . 48.299999999999997 122.153 161.669 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -68.04 -37.87 81.85 Favored 'General case' 0 N--CA 1.387 -3.614 0 O-C-N 118.029 -2.919 . . . . 63.450000000000003 115.706 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.308 81.2 mt -52.91 -52.31 29.67 Favored 'Isoleucine or valine' 2 N--CA 1.596 6.842 0 O-C-N 119.818 -1.801 . . . . 45.420000000000002 112.923 161.148 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.99 -27.22 69.27 Favored 'General case' 1 C--O 1.34 5.855 0 N-CA-C 115.267 1.58 . . . . 71.689999999999998 115.267 176.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -74.34 -36.2 63.62 Favored 'General case' 1 N--CA 1.618 7.963 0 O-C-N 127.35 2.906 . . . . 69.900000000000006 109.787 169.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.37 -51.37 63.63 Favored 'General case' 1 CA--C 1.639 4.393 0 C-N-CA 116.993 -1.883 . . . . 45.109999999999999 106.85 -179.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 17.4 mt -56.53 -42.41 78.42 Favored 'General case' 1 C--O 1.109 -6.328 0 O-C-N 120.589 -1.319 . . . . 49.990000000000002 110.662 -176.3 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.85 -55.7 21.16 Favored 'General case' 0 CA--C 1.613 3.386 0 O-C-N 118.82 -2.425 . . . . 56.25 108.749 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 29' ' ' LEU . 7.2 mtt85 -50.08 -43.52 51.41 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 124.84 2.257 . . . . 95.519999999999996 115.769 166.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.318 97.6 mt -59.18 -48.6 86.31 Favored 'Isoleucine or valine' 1 C--O 1.311 4.308 0 O-C-N 117.483 -3.261 . . . . 54.549999999999997 114.665 179.22 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 21.6 mtmt -70.24 -34.71 73.18 Favored 'General case' 0 C--O 1.166 -3.333 0 CA-C-O 112.453 -3.641 . . . . 78.980000000000004 111.191 -177.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -58.41 -53.75 54.84 Favored 'General case' 0 C--O 1.165 -3.377 0 O-C-N 125.912 2.007 . . . . 82.239999999999995 111.148 162.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -54.81 -26.77 37.03 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 124.451 3.296 . . . . 87.299999999999997 111.985 -178.827 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.84 -178.58 4.56 Favored 'General case' 0 CA--C 1.436 -3.436 0 N-CA-C 100.247 -3.983 . . . . 74.019999999999996 100.247 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.53 8.4 0.19 Allowed Glycine 1 C--O 1.303 4.422 2 C-N-CA 111.955 -4.926 . . . . 84.540000000000006 124.844 175.728 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 29' ' ' LEU . 8.9 tp10 . . . . . 0 N--CA 1.523 3.194 0 C-N-CA 124.398 1.079 . . . . 106.65000000000001 112.107 -159.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.618 ' OE2' ' OE1' ' B' ' 10' ' ' GLU 0.422 0.3 OUTLIER . . . . . 1 N--CA 1.564 5.266 0 N-CA-C 113.347 0.869 . . . . 115.19 113.347 . . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' B' ' 6' ' ' GLU . 17.0 t0 85.68 -144.74 0.01 OUTLIER 'General case' 1 C--O 1.324 5.011 0 CA-C-O 123.72 1.724 . . . . 89.219999999999999 111.886 156.803 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 1.573 ' CD ' ' CE ' ' B' ' 8' ' ' LYS . 11.1 mmtt -63.52 -41.06 98.52 Favored 'General case' 0 C--O 1.169 -3.181 0 CA-C-N 109.28 -3.6 . . . . 70.430000000000007 107.112 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . 0.343 97.7 m -44.36 -48.57 9.74 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 117.136 2.273 . . . . 59.359999999999999 117.136 166.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.618 ' OE1' ' OE2' ' B' ' 6' ' ' GLU . 2.5 tp10 -77.93 -29.57 50.06 Favored 'General case' 0 CA--C 1.433 -3.551 0 O-C-N 125.235 1.585 . . . . 85.670000000000002 114.29 178.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -69.57 -34.45 74.18 Favored 'General case' 0 C--O 1.175 -2.854 0 C-N-CA 115.375 -2.53 . . . . 75.799999999999997 113.28 172.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.5 -53.0 54.87 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 CA-C-N 113.351 -1.75 . . . . 45.450000000000003 109.133 174.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . 1.583 ' CD1' ' CG ' ' B' ' 13' ' ' LEU 0.44 40.9 mt -42.77 -51.15 5.48 Favored 'General case' 2 N--CA 1.57 5.53 0 N-CA-C 119.899 3.296 . . . . 46.979999999999997 119.899 167.818 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . 0.365 1.1 p -70.64 -35.03 72.69 Favored 'General case' 1 C--O 1.391 8.516 0 N-CA-C 121.254 3.798 . . . . 59.719999999999999 121.254 -178.994 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 12.8 mttp -71.49 -27.38 63.19 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 120.933 3.679 . . . . 64.790000000000006 120.933 165.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.87 -51.58 68.5 Favored 'General case' 0 CA--C 1.455 -2.708 0 O-C-N 117.481 -3.262 . . . . 37.880000000000003 115.347 159.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -56.54 -48.0 78.21 Favored 'General case' 0 C--O 1.154 -3.934 0 C-N-CA 114.504 -2.878 . . . . 47.759999999999998 109.206 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 82.1 t60 -47.24 -44.54 22.85 Favored 'General case' 1 C--O 1.342 5.946 0 N-CA-C 116.977 2.214 . . . . 58.380000000000003 116.977 173.838 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt -65.44 -49.23 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.556 0 O-C-N 118.599 -2.563 . . . . 46.329999999999998 115.015 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -48.92 -44.86 40.73 Favored 'General case' 0 C--N 1.395 2.562 0 O-C-N 116.524 -3.86 . . . . 44.479999999999997 110.645 172.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -61.74 -45.86 92.09 Favored 'General case' 1 CA--C 1.703 6.829 0 O-C-N 125.091 1.494 . . . . 44.299999999999997 109.557 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 18' ' ' HIS . 24.4 mt-10 -66.56 -35.36 80.03 Favored 'General case' 0 CA--C 1.424 -3.88 0 N-CA-C 113.974 1.101 . . . . 61.490000000000002 113.974 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.15 -46.15 88.56 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 117.723 2.49 . . . . 49.609999999999999 117.723 164.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.96 91.31 Favored 'General case' 1 N--CA 1.548 4.442 0 CA-C-O 118.76 -0.638 . . . . 46.219999999999999 109.82 177.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.59 -44.48 96.2 Favored 'General case' 1 N--CA 1.552 4.664 0 N-CA-C 116.214 1.931 . . . . 98.150000000000006 116.214 169.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . 0.31 13.2 mt -51.96 -51.56 28.55 Favored 'Isoleucine or valine' 1 CA--C 1.404 -4.638 0 O-C-N 117.86 -3.025 . . . . 58.299999999999997 118.988 159.875 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -58.64 -40.69 84.11 Favored 'General case' 0 C--N 1.268 -2.936 0 O-C-N 120.875 -1.14 . . . . 75.049999999999997 109.764 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . 1.592 ' CD ' ' CE ' ' B' ' 28' ' ' LYS 0.31 2.2 pttt -72.07 -41.44 67.38 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-O 116.537 -1.697 . . . . 83.659999999999997 111.484 -175.235 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 1.615 ' CD1' ' CG ' ' B' ' 29' ' ' LEU 0.304 0.0 OUTLIER -47.91 -56.14 8.25 Favored 'General case' 0 C--O 1.282 2.792 0 C-N-CA 129.413 3.085 . . . . 77.769999999999996 105.901 170.178 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 CA--C 1.598 2.817 1 N-CA-C 124.997 5.184 . . . . 70.799999999999997 124.997 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HE3' ' H ' ' A' ' 9' ' ' THR 1.112 0.0 OUTLIER . . . . . 1 N--CA 1.565 5.279 1 N-CA-C 133.176 8.213 . . . . 71.950000000000003 133.176 . . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . 0.421 ' H ' ' HE3' ' A' ' 8' ' ' LYS 0.351 0.9 OUTLIER -38.6 -52.81 1.63 Allowed 'General case' 0 C--O 1.154 -3.929 0 O-C-N 116.315 -3.99 . . . . 59.329999999999998 118.334 -166.482 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.445 75.9 mm-40 -58.26 -44.61 88.46 Favored 'General case' 0 N--CA 1.395 -3.194 0 CA-C-N 112.294 -2.23 . . . . 53.68 115.535 175.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -55.62 16.27 Favored 'General case' 1 C--O 1.139 -4.759 0 O-C-N 125.821 1.951 . . . . 48.130000000000003 107.108 178.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 83.3 mt -39.72 -55.17 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.538 3.963 0 N-CA-C 115.84 1.793 . . . . 42.950000000000003 115.84 167.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.56 -43.19 75.64 Favored 'General case' 0 C--O 1.304 3.943 0 N-CA-C 117.279 2.325 . . . . 58.939999999999998 117.279 172.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 t -62.5 -48.25 80.4 Favored 'General case' 1 N--CA 1.379 -4.015 0 CA-C-N 112.139 -2.3 . . . . 43.890000000000001 105.632 -175.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 1.6 ' CD ' ' CE ' ' A' ' 15' ' ' LYS . 51.0 mmtt -48.39 -35.34 12.44 Favored 'General case' 1 N--CA 1.56 5.053 0 N-CA-C 118.212 2.671 . . . . 62.32 118.212 170.046 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.27 -41.06 64.07 Favored 'General case' 1 N--CA 1.377 -4.104 0 O-C-N 120.059 -1.65 . . . . 40.119999999999997 112.964 -176.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' B' ' 15' ' ' LYS . 24.3 m-85 -53.81 -42.47 68.43 Favored 'General case' 0 N--CA 1.53 3.536 1 N-CA-C 122.153 4.131 . . . . 48.299999999999997 122.153 161.669 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' HE1' ' O ' ' A' 2003 ' ' HOH . 42.8 t-80 -68.04 -37.87 81.85 Favored 'General case' 0 N--CA 1.387 -3.614 0 O-C-N 118.029 -2.919 . . . . 63.450000000000003 115.706 174.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.308 81.2 mt -52.91 -52.31 29.67 Favored 'Isoleucine or valine' 2 N--CA 1.596 6.842 0 O-C-N 119.818 -1.801 . . . . 45.420000000000002 112.923 161.148 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -62.99 -27.22 69.27 Favored 'General case' 1 C--O 1.34 5.855 0 N-CA-C 115.267 1.58 . . . . 71.689999999999998 115.267 176.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -74.34 -36.2 63.62 Favored 'General case' 1 N--CA 1.618 7.963 0 O-C-N 127.35 2.906 . . . . 69.900000000000006 109.787 169.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.37 -51.37 63.63 Favored 'General case' 1 CA--C 1.639 4.393 0 C-N-CA 116.993 -1.883 . . . . 45.109999999999999 106.85 -179.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 17.4 mt -56.53 -42.41 78.42 Favored 'General case' 1 C--O 1.109 -6.328 0 O-C-N 120.589 -1.319 . . . . 49.990000000000002 110.662 -176.3 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.85 -55.7 21.16 Favored 'General case' 0 CA--C 1.613 3.386 0 O-C-N 118.82 -2.425 . . . . 56.25 108.749 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 29' ' ' LEU . 7.2 mtt85 -50.08 -43.52 51.41 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 124.84 2.257 . . . . 95.519999999999996 115.769 166.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.318 97.6 mt -59.18 -48.6 86.31 Favored 'Isoleucine or valine' 1 C--O 1.311 4.308 0 O-C-N 117.483 -3.261 . . . . 54.549999999999997 114.665 179.22 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 21.6 mtmt -70.24 -34.71 73.18 Favored 'General case' 0 C--O 1.166 -3.333 0 CA-C-O 112.453 -3.641 . . . . 78.980000000000004 111.191 -177.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -58.41 -53.75 54.84 Favored 'General case' 0 C--O 1.165 -3.377 0 O-C-N 125.912 2.007 . . . . 82.239999999999995 111.148 162.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -54.81 -26.77 37.03 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 124.451 3.296 . . . . 87.299999999999997 111.985 -178.827 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.84 -178.58 4.56 Favored 'General case' 0 CA--C 1.436 -3.436 0 N-CA-C 100.247 -3.983 . . . . 74.019999999999996 100.247 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.53 8.4 0.19 Allowed Glycine 1 C--O 1.303 4.422 2 C-N-CA 111.955 -4.926 . . . . 84.540000000000006 124.844 175.728 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 29' ' ' LEU . 8.9 tp10 . . . . . 0 N--CA 1.523 3.194 0 C-N-CA 124.398 1.079 . . . . 106.65000000000001 112.107 -159.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.618 ' OE2' ' OE1' ' B' ' 10' ' ' GLU 0.422 0.3 OUTLIER . . . . . 1 N--CA 1.564 5.266 0 N-CA-C 113.347 0.869 . . . . 115.19 113.347 . . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' B' ' 6' ' ' GLU . 17.0 t0 85.68 -144.74 0.01 OUTLIER 'General case' 1 C--O 1.324 5.011 0 CA-C-O 123.72 1.724 . . . . 89.219999999999999 111.886 156.803 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 1.573 ' CD ' ' CE ' ' B' ' 8' ' ' LYS . 11.1 mmtt -63.52 -41.06 98.52 Favored 'General case' 0 C--O 1.169 -3.181 0 CA-C-N 109.28 -3.6 . . . . 70.430000000000007 107.112 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . 0.343 97.7 m -44.36 -48.57 9.74 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 117.136 2.273 . . . . 59.359999999999999 117.136 166.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.618 ' OE1' ' OE2' ' B' ' 6' ' ' GLU . 2.5 tp10 -77.93 -29.57 50.06 Favored 'General case' 0 CA--C 1.433 -3.551 0 O-C-N 125.235 1.585 . . . . 85.670000000000002 114.29 178.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -69.57 -34.45 74.18 Favored 'General case' 0 C--O 1.175 -2.854 0 C-N-CA 115.375 -2.53 . . . . 75.799999999999997 113.28 172.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.5 -53.0 54.87 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 CA-C-N 113.351 -1.75 . . . . 45.450000000000003 109.133 174.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . 1.583 ' CD1' ' CG ' ' B' ' 13' ' ' LEU 0.44 40.9 mt -42.77 -51.15 5.48 Favored 'General case' 2 N--CA 1.57 5.53 0 N-CA-C 119.899 3.296 . . . . 46.979999999999997 119.899 167.818 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . 0.365 1.1 p -70.64 -35.03 72.69 Favored 'General case' 1 C--O 1.391 8.516 0 N-CA-C 121.254 3.798 . . . . 59.719999999999999 121.254 -178.994 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 12.8 mttp -71.49 -27.38 63.19 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 120.933 3.679 . . . . 64.790000000000006 120.933 165.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.87 -51.58 68.5 Favored 'General case' 0 CA--C 1.455 -2.708 0 O-C-N 117.481 -3.262 . . . . 37.880000000000003 115.347 159.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -56.54 -48.0 78.21 Favored 'General case' 0 C--O 1.154 -3.934 0 C-N-CA 114.504 -2.878 . . . . 47.759999999999998 109.206 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 82.1 t60 -47.24 -44.54 22.85 Favored 'General case' 1 C--O 1.342 5.946 0 N-CA-C 116.977 2.214 . . . . 58.380000000000003 116.977 173.838 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt -65.44 -49.23 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.556 0 O-C-N 118.599 -2.563 . . . . 46.329999999999998 115.015 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -48.92 -44.86 40.73 Favored 'General case' 0 C--N 1.395 2.562 0 O-C-N 116.524 -3.86 . . . . 44.479999999999997 110.645 172.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -61.74 -45.86 92.09 Favored 'General case' 1 CA--C 1.703 6.829 0 O-C-N 125.091 1.494 . . . . 44.299999999999997 109.557 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 18' ' ' HIS . 24.4 mt-10 -66.56 -35.36 80.03 Favored 'General case' 0 CA--C 1.424 -3.88 0 N-CA-C 113.974 1.101 . . . . 61.490000000000002 113.974 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.15 -46.15 88.56 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 117.723 2.49 . . . . 49.609999999999999 117.723 164.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.96 91.31 Favored 'General case' 1 N--CA 1.548 4.442 0 CA-C-O 118.76 -0.638 . . . . 46.219999999999999 109.82 177.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -60.59 -44.48 96.2 Favored 'General case' 1 N--CA 1.552 4.664 0 N-CA-C 116.214 1.931 . . . . 98.150000000000006 116.214 169.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . 0.31 13.2 mt -51.96 -51.56 28.55 Favored 'Isoleucine or valine' 1 CA--C 1.404 -4.638 0 O-C-N 117.86 -3.025 . . . . 58.299999999999997 118.988 159.875 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -58.64 -40.69 84.11 Favored 'General case' 0 C--N 1.268 -2.936 0 O-C-N 120.875 -1.14 . . . . 75.049999999999997 109.764 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . 1.592 ' CD ' ' CE ' ' B' ' 28' ' ' LYS 0.31 2.2 pttt -72.07 -41.44 67.38 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-O 116.537 -1.697 . . . . 83.659999999999997 111.484 -175.235 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.615 ' CD1' ' CG ' ' B' ' 29' ' ' LEU 0.304 0.0 OUTLIER -47.91 -56.14 8.25 Favored 'General case' 0 C--O 1.282 2.792 0 C-N-CA 129.413 3.085 . . . . 77.769999999999996 105.901 170.178 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 CA--C 1.598 2.817 1 N-CA-C 124.997 5.184 . . . . 70.799999999999997 124.997 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . 0.523 ' O ' ' HE1' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_