data_2jgo_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 2jgo _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 23.199999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . 0.687 ' OE2' ' O ' ' C' 2006 ' ' HOH . 88.7 tt0 -67.84 -52.07 41.14 Favored 'General case' 1 C--N 0.942 -17.132 1 O-C-N 137.474 9.234 . . . . 45.829999999999998 112.36 . . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TRP . . . . . 0.819 ' CZ3' ' CD1' ' B' ' 5' ' ' LEU . 38.7 t-105 -57.89 -45.55 86.23 Favored 'General case' 1 C--N 1.148 -8.161 2 O-C-N 112.412 -6.43 . . . . 26.52 109.745 170.662 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -59.23 -40.04 84.64 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 120.853 -1.155 . . . . 22.809999999999999 111.046 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.78 96.82 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.973 0.892 . . . . 19.620000000000001 111.723 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' CD2' ' CH2' ' C' ' 2' ' ' TRP . 50.1 tp -65.06 -42.7 93.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.068 -0.969 . . . . 17.649999999999999 110.669 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.09 -44.24 94.93 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.602 -0.839 . . . . 30.120000000000001 111.022 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.4 -41.09 96.84 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 118.829 -1.148 . . . . 30.309999999999999 112.173 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.612 ' NZ ' ' O ' ' A' 2007 ' ' HOH . 78.8 tttt -54.68 -52.37 62.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.652 -0.704 . . . . 24.719999999999999 111.201 174.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.66 -32.12 73.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.64 -1.288 . . . . 17.73 107.965 -175.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.61 80.08 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 119.798 -1.814 . . . . 15.07 110.261 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.19 83.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.619 -1.252 . . . . 16.420000000000002 107.619 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.64 -37.22 78.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 123.368 1.556 . . . . 19.93 113.026 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.81 -44.16 90.83 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.592 -1.318 . . . . 34.060000000000002 107.994 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.9 m -56.44 -45.2 80.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 112.369 0.507 . . . . 22.859999999999999 112.369 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -70.53 -37.77 74.14 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.113 1.365 . . . . 34.280000000000001 107.592 -173.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 tp -76.71 -32.96 58.19 Favored 'General case' 0 C--O 1.175 -2.866 0 CA-C-O 117.483 -1.246 . . . . 32.460000000000001 109.355 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.97 -39.38 94.53 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.238 -0.985 . . . . 34.729999999999997 109.494 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . 0.592 ' O ' ' CD ' ' A' ' 22' ' ' LYS . . . -57.43 -49.04 77.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.096 1.358 . . . . 16.489999999999998 110.322 175.861 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' CD2' ' CD1' ' C' ' 23' ' ' LEU . 0.1 OUTLIER -61.01 -41.84 97.31 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 117.554 -1.212 . . . . 26.170000000000002 110.939 178.723 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.673 ' OE1' ' O ' ' A' 2013 ' ' HOH . 68.7 mt-10 -60.85 -43.1 98.79 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.475 1.109 . . . . 16.949999999999999 109.54 -177.374 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -66.35 -46.57 76.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 117.597 -1.192 . . . . 35.240000000000002 110.935 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . 0.651 ' CD ' ' N ' ' A' ' 22' ' ' LYS . 62.6 mttt -60.63 -36.68 79.23 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.045 0.841 . . . . 22.039999999999999 113.118 175.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.5 -36.3 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.086 -1.435 . . . . 22.170000000000002 108.425 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -60.49 -45.63 93.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.756 1.162 . . . . 12.75 109.638 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.12 76.4 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 120.419 -1.426 . . . . 12.619999999999999 113.77 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . 0.998 ' CD1' ' CD2' ' C' ' 23' ' ' LEU . 77.9 mt -67.85 -34.21 76.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.588 -0.445 . . . . 13.140000000000001 110.463 -174.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -50.86 -33.51 24.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.072 -0.967 . . . . 26.670000000000002 111.874 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -104.0 21.45 16.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.765 -1.107 . . . . 17.710000000000001 109.537 -172.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.44 -3.43 54.06 Favored Glycine 0 C--O 1.239 0.448 0 C-N-CA 119.539 -1.315 . . . . 21.879999999999999 112.053 172.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' 2018 ' ' HOH . . . . . . . . 0 C--N 1.393 2.473 2 O-C-N 109.876 -7.837 . . . . 17.469999999999999 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.453 . . . . . . . . 17.449999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.41 -46.92 71.79 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 124.399 2.047 . . . . 41.020000000000003 112.037 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' TRP . . . . . 1.172 ' CZ3' ' CZ3' ' C' ' 2' ' ' TRP . 76.0 t-105 -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 117.086 -1.846 . . . . 26.920000000000002 111.642 -176.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -57.04 -38.45 73.22 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.992 1.108 . . . . 15.24 113.992 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.9 76.66 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.482 -0.761 . . . . 12.57 109.333 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . 0.819 ' CD1' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -72.91 -36.61 67.31 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 117.355 -1.738 . . . . 19.5 109.577 179.274 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -38.15 90.03 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 119.402 1.001 . . . . 38.030000000000001 110.411 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -69.93 -40.1 75.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.928 0.871 . . . . 20.579999999999998 109.362 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -59.33 -48.96 79.64 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.338 -0.846 . . . . 29.34 112.387 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -65.6 -36.53 84.02 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.689 -0.856 . . . . 16.210000000000001 108.689 -176.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.49 99.49 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.173 0.805 . . . . 14.18 113.173 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.49 90.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.3 -1.0 . . . . 16.129999999999999 108.3 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.6 -41.42 81.18 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.623 1.342 . . . . 17.260000000000002 114.623 174.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -61.49 -46.9 88.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 107.011 -1.477 . . . . 34.960000000000001 107.011 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -59.06 -45.91 89.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 119.261 -0.976 . . . . 24.75 113.442 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -61.87 -40.66 96.14 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 124.377 1.048 . . . . 31.609999999999999 110.866 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.68 -39.15 84.48 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 118.972 -1.091 . . . . 27.800000000000001 110.443 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' B' 2011 ' ' HOH . 29.5 mt-30 -59.87 -41.85 92.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 117.275 -1.345 . . . . 39.130000000000003 110.441 174.611 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.76 98.38 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 124.883 2.278 . . . . 13.359999999999999 109.634 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 16.8 mt -72.0 -34.59 69.0 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 120.187 -1.571 . . . . 24.32 111.071 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' B' 2013 ' ' HOH . 85.4 mt-10 -61.3 -43.89 98.13 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.324 -0.86 . . . . 32.75 110.182 174.786 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.49 -35.21 78.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 118.399 0.545 . . . . 17.68 110.625 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.2 -40.76 90.61 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.84 0.712 . . . . 16.75 112.71 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.27 -42.32 96.51 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 116.978 -1.889 . . . . 19.02 110.722 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . 0.974 ' OE1' ' O ' ' C' 2015 ' ' HOH . 63.7 mm-40 -58.35 -40.06 81.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.845 -1.16 . . . . 30.489999999999998 111.958 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.0 -52.96 56.72 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.12 -1.067 . . . . 13.300000000000001 108.12 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.75 -30.9 71.63 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.777 1.028 . . . . 24.420000000000002 113.777 -175.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . 0.844 ' OE2' ' O ' ' C' 2015 ' ' HOH . 96.1 mt-10 -60.09 -28.33 67.73 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-O 118.515 -0.755 . . . . 28.620000000000001 109.999 174.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -102.62 12.84 35.81 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 120.617 3.562 . . . . 26.199999999999999 120.617 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.96 0.86 25.55 Favored Glycine 0 C--O 1.236 0.223 0 C-N-CA 119.34 -1.41 . . . . 32.340000000000003 112.934 174.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.55 9.283 1 O-C-N 105.323 -10.516 . . . . 19.030000000000001 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.228 . . . . . . . . 10.880000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' C' 2003 ' ' HOH . 39.9 mm-40 -56.92 -44.13 82.11 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.713 1.375 . . . . 36.020000000000003 114.713 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' TRP . . . . . 1.172 ' CZ3' ' CZ3' ' B' ' 2' ' ' TRP . 14.6 t-105 -62.71 -55.12 29.67 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.949 -0.569 . . . . 38.509999999999998 110.146 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -50.78 -49.25 58.69 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 125.22 1.575 . . . . 21.850000000000001 110.445 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.08 74.75 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 123.226 1.488 . . . . 15.300000000000001 112.201 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 tp -71.09 -40.34 71.6 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 118.906 -1.118 . . . . 14.91 111.08 -178.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . 0.864 ' OE1' ' O ' ' C' 2006 ' ' HOH . 64.1 mt-10 -60.14 -39.34 85.96 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 119.828 -0.749 . . . . 35.259999999999998 111.655 177.184 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LYS . . . . . 0.812 ' NZ ' ' O ' ' C' 2008 ' ' HOH . 32.5 mtpt -71.34 -35.97 71.37 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.596 1.188 . . . . 30.25 108.236 -177.451 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -67.35 -45.97 74.79 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.942 -1.503 . . . . 28.359999999999999 106.942 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.31 -39.98 95.0 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 117.968 -1.493 . . . . 16.719999999999999 109.725 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.53 93.89 Favored 'General case' 0 C--O 1.243 0.745 0 O-C-N 120.982 -1.074 . . . . 17.059999999999999 111.823 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.72 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.246 -1.39 . . . . 15.98 107.246 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.45 -40.64 95.23 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 117.872 -1.531 . . . . 20.989999999999998 109.894 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -60.09 -44.12 95.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 118.048 -0.977 . . . . 38.770000000000003 110.859 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 12.3 t -63.84 -39.09 93.4 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 124.122 1.915 . . . . 26.460000000000001 110.44 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -69.17 -40.19 78.28 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 112.666 -2.061 . . . . 36.789999999999999 108.884 -177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.55 -35.27 80.43 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.469 -0.938 . . . . 26.859999999999999 108.469 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.2 -41.86 94.11 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 122.833 1.302 . . . . 34.259999999999998 111.978 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.25 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.645 -1.616 . . . . 13.9 110.285 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . 0.429 ' CD1' ' CG ' ' B' ' 20' ' ' GLU . 51.8 mt -67.5 -41.74 84.0 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 116.743 -1.598 . . . . 23.219999999999999 109.507 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.36 -35.65 80.88 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 117.531 -1.667 . . . . 25.620000000000001 107.298 -177.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -55.9 -46.93 78.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.628 1.68 . . . . 31.199999999999999 112.307 174.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LYS . . . . . 1.194 ' NZ ' ' O ' ' C' 2015 ' ' HOH . 65.4 mttp -69.64 -38.5 77.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.989 -1.005 . . . . 24.399999999999999 110.568 -177.07 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . 0.998 ' CD2' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 123.934 0.771 . . . . 23.120000000000001 110.009 175.435 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -64.44 -40.03 94.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 119.104 -1.039 . . . . 14.09 110.665 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.23 92.19 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 121.733 0.777 . . . . 12.380000000000001 112.32 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.27 -42.87 99.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 120.171 -1.581 . . . . 21.109999999999999 112.692 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.58 -39.04 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 117.786 -1.102 . . . . 18.079999999999998 108.617 -172.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -110.9 -17.08 13.4 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 118.091 2.626 . . . . 14.75 118.091 -170.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.65 17.53 56.42 Favored Glycine 0 C--O 1.237 0.325 0 C-N-CA 118.844 -1.646 . . . . 21.530000000000001 112.697 -172.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.867 0 O-C-N 118.78 -2.6 . . . . 19.420000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1030 ' ' ARS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1031 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1032 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1030 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1031 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . 0.612 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2013 ' ' HOH . . . . . 0.673 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2018 ' ' HOH . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2011 ' ' HOH . . . . . 0.635 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2013 ' ' HOH . . . . . 0.439 ' O ' ' CD ' ' B' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2003 ' ' HOH . . . . . 0.491 ' O ' ' OE1' ' C' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2006 ' ' HOH . . . . . 0.864 ' O ' ' OE1' ' C' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2008 ' ' HOH . . . . . 0.812 ' O ' ' NZ ' ' C' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2013 ' ' HOH . . . . . 0.73 ' O ' ' NZ ' ' C' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2015 ' ' HOH . . . . . 1.194 ' O ' ' NZ ' ' C' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 23.199999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . 0.687 ' OE2' ' O ' ' C' 2006 ' ' HOH . 88.7 tt0 -67.84 -52.07 41.14 Favored 'General case' 1 C--N 0.942 -17.132 1 O-C-N 137.474 9.234 . . . . 45.829999999999998 112.36 . . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TRP . . . . . 1.282 ' CZ3' HD12 ' B' ' 5' ' ' LEU . 38.7 t-105 -57.89 -45.55 86.23 Favored 'General case' 1 C--N 1.148 -8.161 2 O-C-N 112.412 -6.43 . . . . 28.27 109.745 170.662 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -59.23 -40.04 84.64 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 120.853 -1.155 . . . . 22.809999999999999 111.046 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.78 96.82 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.973 0.892 . . . . 19.620000000000001 111.723 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' CH2' ' C' ' 2' ' ' TRP . 50.1 tp -65.06 -42.7 93.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.068 -0.969 . . . . 17.649999999999999 110.669 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.09 -44.24 94.93 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.602 -0.839 . . . . 30.120000000000001 111.022 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.4 -41.09 96.84 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 118.829 -1.148 . . . . 30.309999999999999 112.173 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -54.68 -52.37 62.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.652 -0.704 . . . . 24.719999999999999 111.201 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.66 -32.12 73.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.64 -1.288 . . . . 17.73 107.965 -175.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.61 80.08 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 119.798 -1.814 . . . . 15.07 110.261 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.19 83.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.619 -1.252 . . . . 16.420000000000002 107.619 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.64 -37.22 78.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 123.368 1.556 . . . . 19.93 113.026 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.81 -44.16 90.83 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.592 -1.318 . . . . 34.060000000000002 107.994 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.9 m -56.44 -45.2 80.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 112.369 0.507 . . . . 22.859999999999999 112.369 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' C' ' 16' ' ' LEU . 65.4 mttt -70.53 -37.77 74.14 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.113 1.365 . . . . 34.280000000000001 107.592 -173.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.619 HD11 HD12 ' B' ' 19' ' ' LEU . 25.5 tp -76.71 -32.96 58.19 Favored 'General case' 0 C--O 1.175 -2.866 0 CA-C-O 117.483 -1.246 . . . . 32.460000000000001 109.355 -177.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.97 -39.38 94.53 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.238 -0.985 . . . . 34.729999999999997 109.494 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . 0.988 ' O ' ' HD3' ' A' ' 22' ' ' LYS . . . -57.43 -49.04 77.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.096 1.358 . . . . 16.489999999999998 110.322 175.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD12 ' C' ' 23' ' ' LEU . 0.1 OUTLIER -61.01 -41.84 97.31 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 117.554 -1.212 . . . . 26.170000000000002 110.939 178.723 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' B' ' 19' ' ' LEU . 68.7 mt-10 -60.85 -43.1 98.79 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.475 1.109 . . . . 16.949999999999999 109.54 -177.374 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' 2014 ' ' HOH . 43.6 mmtm -66.35 -46.57 76.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 117.597 -1.192 . . . . 35.240000000000002 110.935 179.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.988 ' HD3' ' O ' ' A' ' 18' ' ' ALA . 62.6 mttt -60.63 -36.68 79.23 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.045 0.841 . . . . 22.039999999999999 113.118 175.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.5 -36.3 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.086 -1.435 . . . . 22.170000000000002 108.425 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -60.49 -45.63 93.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.756 1.162 . . . . 12.75 109.638 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.12 76.4 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 120.419 -1.426 . . . . 12.619999999999999 113.77 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 1.092 HD12 HD21 ' C' ' 23' ' ' LEU . 77.9 mt -67.85 -34.21 76.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.588 -0.445 . . . . 18.120000000000001 110.463 -174.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -50.86 -33.51 24.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.072 -0.967 . . . . 26.670000000000002 111.874 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -104.0 21.45 16.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.765 -1.107 . . . . 17.710000000000001 109.537 -172.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.44 -3.43 54.06 Favored Glycine 0 C--O 1.239 0.448 0 C-N-CA 119.539 -1.315 . . . . 21.879999999999999 112.053 172.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' 2018 ' ' HOH . . . . . . . . 0 C--N 1.393 2.473 2 O-C-N 109.876 -7.837 . . . . 17.469999999999999 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.453 . . . . . . . . 17.449999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . 0.817 ' HG2' ' HZ2' ' A' ' 2' ' ' TRP . 2.0 tt0 -67.41 -46.92 71.79 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 124.399 2.047 . . . . 41.020000000000003 112.037 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' TRP . . . . . 1.172 ' CZ3' ' CZ3' ' C' ' 2' ' ' TRP . 76.0 t-105 -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 117.086 -1.846 . . . . 26.920000000000002 111.642 -176.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -57.04 -38.45 73.22 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.992 1.108 . . . . 15.24 113.992 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.9 76.66 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.482 -0.761 . . . . 12.57 109.333 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . 1.282 HD12 ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -72.91 -36.61 67.31 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 117.355 -1.738 . . . . 19.5 109.577 179.274 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -38.15 90.03 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 119.402 1.001 . . . . 38.030000000000001 110.411 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -69.93 -40.1 75.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.928 0.871 . . . . 21.02 109.362 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -59.33 -48.96 79.64 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.338 -0.846 . . . . 29.34 112.387 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -65.6 -36.53 84.02 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.689 -0.856 . . . . 16.210000000000001 108.689 -176.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.49 99.49 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.173 0.805 . . . . 14.18 113.173 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.49 90.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.3 -1.0 . . . . 16.129999999999999 108.3 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.6 -41.42 81.18 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.623 1.342 . . . . 17.260000000000002 114.623 174.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -61.49 -46.9 88.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 107.011 -1.477 . . . . 34.960000000000001 107.011 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -59.06 -45.91 89.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 119.261 -0.976 . . . . 24.75 113.442 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -61.87 -40.66 96.14 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 124.377 1.048 . . . . 31.609999999999999 110.866 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' B' ' 20' ' ' GLU . 6.7 tt -67.68 -39.15 84.48 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 118.972 -1.091 . . . . 27.800000000000001 110.443 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' B' 2011 ' ' HOH . 29.5 mt-30 -59.87 -41.85 92.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 117.275 -1.345 . . . . 39.130000000000003 110.441 174.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.76 98.38 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 124.883 2.278 . . . . 13.359999999999999 109.634 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . 0.793 HD21 ' HG2' ' A' ' 20' ' ' GLU . 16.8 mt -72.0 -34.59 69.0 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 120.187 -1.571 . . . . 24.32 111.071 -176.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . 0.826 ' HG2' HD11 ' C' ' 19' ' ' LEU . 85.4 mt-10 -61.3 -43.89 98.13 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.324 -0.86 . . . . 32.75 110.182 174.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.49 -35.21 78.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 118.399 0.545 . . . . 17.68 110.625 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.2 -40.76 90.61 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.84 0.712 . . . . 16.75 112.71 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' C' ' 22' ' ' LYS . 44.0 tp -64.27 -42.32 96.51 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 116.978 -1.889 . . . . 19.02 110.722 176.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . 0.974 ' OE1' ' O ' ' C' 2015 ' ' HOH . 63.7 mm-40 -58.35 -40.06 81.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.845 -1.16 . . . . 30.489999999999998 111.958 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.0 -52.96 56.72 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.12 -1.067 . . . . 13.300000000000001 108.12 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.75 -30.9 71.63 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.777 1.028 . . . . 24.420000000000002 113.777 -175.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.844 ' OE2' ' O ' ' C' 2015 ' ' HOH . 96.1 mt-10 -60.09 -28.33 67.73 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-O 118.515 -0.755 . . . . 28.620000000000001 109.999 174.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -102.62 12.84 35.81 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 120.617 3.562 . . . . 26.199999999999999 120.617 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.96 0.86 25.55 Favored Glycine 0 C--O 1.236 0.223 0 C-N-CA 119.34 -1.41 . . . . 32.340000000000003 112.934 174.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.55 9.283 1 O-C-N 105.323 -10.516 . . . . 19.030000000000001 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.228 . . . . . . . . 10.880000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' C' 2003 ' ' HOH . 39.9 mm-40 -56.92 -44.13 82.11 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.713 1.375 . . . . 36.020000000000003 114.713 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 2' ' ' TRP . . . . . 1.172 ' CZ3' ' CZ3' ' B' ' 2' ' ' TRP . 14.6 t-105 -62.71 -55.12 29.67 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.949 -0.569 . . . . 38.509999999999998 110.146 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -50.78 -49.25 58.69 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 125.22 1.575 . . . . 21.850000000000001 110.445 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.08 74.75 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 123.226 1.488 . . . . 15.300000000000001 112.201 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . 0.431 HD21 HD13 ' B' ' 5' ' ' LEU . 21.5 tp -71.09 -40.34 71.6 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 118.906 -1.118 . . . . 14.91 111.08 -178.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . 0.864 ' OE1' ' O ' ' C' 2006 ' ' HOH . 64.1 mt-10 -60.14 -39.34 85.96 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 119.828 -0.749 . . . . 35.259999999999998 111.655 177.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LYS . . . . . 0.736 ' NZ ' ' O ' ' C' 2008 ' ' HOH . 32.5 mtpt -71.34 -35.97 71.37 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.596 1.188 . . . . 30.25 108.236 -177.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -67.35 -45.97 74.79 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.942 -1.503 . . . . 28.359999999999999 106.942 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.31 -39.98 95.0 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 117.968 -1.493 . . . . 16.719999999999999 109.725 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.53 93.89 Favored 'General case' 0 C--O 1.243 0.745 0 O-C-N 120.982 -1.074 . . . . 17.059999999999999 111.823 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.72 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.246 -1.39 . . . . 15.98 107.246 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.45 -40.64 95.23 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 117.872 -1.531 . . . . 20.989999999999998 109.894 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -60.09 -44.12 95.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 118.048 -0.977 . . . . 38.770000000000003 110.859 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 12.3 t -63.84 -39.09 93.4 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 124.122 1.915 . . . . 26.460000000000001 110.44 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' C' 2009 ' ' HOH . 23.5 mtmt -69.17 -40.19 78.28 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 112.666 -2.061 . . . . 36.789999999999999 108.884 -177.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 15' ' ' LYS . 6.5 tt -64.55 -35.27 80.43 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.469 -0.938 . . . . 26.859999999999999 108.469 -179.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -65.2 -41.86 94.11 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 122.833 1.302 . . . . 34.259999999999998 111.978 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.25 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.645 -1.616 . . . . 13.9 110.285 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . 0.826 HD11 ' HG2' ' B' ' 20' ' ' GLU . 51.8 mt -67.5 -41.74 84.0 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 116.743 -1.598 . . . . 23.219999999999999 109.507 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.36 -35.65 80.88 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 117.531 -1.667 . . . . 25.620000000000001 107.298 -177.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -55.9 -46.93 78.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.628 1.68 . . . . 31.199999999999999 112.307 174.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LYS . . . . . 1.194 ' NZ ' ' O ' ' C' 2015 ' ' HOH . 65.4 mttp -69.64 -38.5 77.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.989 -1.005 . . . . 28.09 110.568 -177.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . 1.092 HD21 HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 123.934 0.771 . . . . 23.120000000000001 110.009 175.435 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -64.44 -40.03 94.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 119.104 -1.039 . . . . 14.09 110.665 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.23 92.19 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 121.733 0.777 . . . . 12.380000000000001 112.32 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.27 -42.87 99.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 120.171 -1.581 . . . . 21.109999999999999 112.692 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.58 -39.04 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 117.786 -1.102 . . . . 18.079999999999998 108.617 -172.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -110.9 -17.08 13.4 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 118.091 2.626 . . . . 14.75 118.091 -170.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.65 17.53 56.42 Favored Glycine 0 C--O 1.237 0.325 0 C-N-CA 118.844 -1.646 . . . . 21.530000000000001 112.697 -172.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.867 0 O-C-N 118.78 -2.6 . . . . 19.420000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1030 ' ' ARS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1031 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1032 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1030 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1031 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2013 ' ' HOH . . . . . 0.673 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2014 ' ' HOH . . . . . 0.534 ' O ' ' HE3' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2018 ' ' HOH . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2011 ' ' HOH . . . . . 0.635 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2013 ' ' HOH . . . . . 0.439 ' O ' ' CD ' ' B' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2003 ' ' HOH . . . . . 0.491 ' O ' ' OE1' ' C' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2006 ' ' HOH . . . . . 0.864 ' O ' ' OE1' ' C' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2008 ' ' HOH . . . . . 0.736 ' O ' ' NZ ' ' C' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 2009 ' ' HOH . . . . . 0.546 ' O ' ' HG3' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2015 ' ' HOH . . . . . 1.194 ' O ' ' NZ ' ' C' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 23.199999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.687 ' OE2' ' O ' ' C' 2006 ' ' HOH . 88.7 tt0 -67.84 -52.07 41.14 Favored 'General case' 1 C--N 0.942 -17.132 1 O-C-N 137.474 9.234 . . . . 45.829999999999998 112.36 . . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.282 ' CZ3' HD12 ' B' ' 5' ' ' LEU . 38.7 t-105 -57.89 -45.55 86.23 Favored 'General case' 1 C--N 1.148 -8.161 2 O-C-N 112.412 -6.43 . . . . 28.27 109.745 170.662 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -59.23 -40.04 84.64 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 120.853 -1.155 . . . . 22.809999999999999 111.046 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.78 96.82 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.973 0.892 . . . . 19.620000000000001 111.723 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' CH2' ' C' ' 2' ' ' TRP . 50.1 tp -65.06 -42.7 93.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.068 -0.969 . . . . 17.649999999999999 110.669 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.09 -44.24 94.93 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.602 -0.839 . . . . 30.120000000000001 111.022 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.4 -41.09 96.84 Favored 'General case' 0 C--O 1.245 0.835 0 C-N-CA 118.829 -1.148 . . . . 30.309999999999999 112.173 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -54.68 -52.37 62.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.652 -0.704 . . . . 24.719999999999999 111.201 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.66 -32.12 73.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.64 -1.288 . . . . 17.73 107.965 -175.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.61 80.08 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 119.798 -1.814 . . . . 15.07 110.261 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.19 83.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.619 -1.252 . . . . 16.420000000000002 107.619 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.64 -37.22 78.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 123.368 1.556 . . . . 19.93 113.026 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.81 -44.16 90.83 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.592 -1.318 . . . . 34.060000000000002 107.994 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.9 m -56.44 -45.2 80.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 112.369 0.507 . . . . 22.859999999999999 112.369 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' C' ' 16' ' ' LEU . 65.4 mttt -70.53 -37.77 74.14 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.113 1.365 . . . . 34.280000000000001 107.592 -173.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.619 HD11 HD12 ' B' ' 19' ' ' LEU . 25.5 tp -76.71 -32.96 58.19 Favored 'General case' 0 C--O 1.175 -2.866 0 CA-C-O 117.483 -1.246 . . . . 32.460000000000001 109.355 -177.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.97 -39.38 94.53 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.238 -0.985 . . . . 34.729999999999997 109.494 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.988 ' O ' ' HD3' ' A' ' 22' ' ' LYS . . . -57.43 -49.04 77.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.096 1.358 . . . . 16.489999999999998 110.322 175.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD12 ' C' ' 23' ' ' LEU . 0.1 OUTLIER -61.01 -41.84 97.31 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 117.554 -1.212 . . . . 26.170000000000002 110.939 178.723 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' B' ' 19' ' ' LEU . 68.7 mt-10 -60.85 -43.1 98.79 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.475 1.109 . . . . 16.949999999999999 109.54 -177.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' 2014 ' ' HOH . 43.6 mmtm -66.35 -46.57 76.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 117.597 -1.192 . . . . 35.240000000000002 110.935 179.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.988 ' HD3' ' O ' ' A' ' 18' ' ' ALA . 62.6 mttt -60.63 -36.68 79.23 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.045 0.841 . . . . 22.039999999999999 113.118 175.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.5 -36.3 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.086 -1.435 . . . . 22.170000000000002 108.425 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -60.49 -45.63 93.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.756 1.162 . . . . 12.75 109.638 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.12 76.4 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 120.419 -1.426 . . . . 12.619999999999999 113.77 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.092 HD12 HD21 ' C' ' 23' ' ' LEU . 77.9 mt -67.85 -34.21 76.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.588 -0.445 . . . . 18.120000000000001 110.463 -174.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -50.86 -33.51 24.2 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.072 -0.967 . . . . 26.670000000000002 111.874 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -104.0 21.45 16.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.765 -1.107 . . . . 17.710000000000001 109.537 -172.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.44 -3.43 54.06 Favored Glycine 0 C--O 1.239 0.448 0 C-N-CA 119.539 -1.315 . . . . 21.879999999999999 112.053 172.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' 2018 ' ' HOH . . . . . . . . 0 C--N 1.393 2.473 2 O-C-N 109.876 -7.837 . . . . 17.469999999999999 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.453 . . . . . . . . 17.449999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.817 ' HG2' ' HZ2' ' A' ' 2' ' ' TRP . 2.0 tt0 -67.41 -46.92 71.79 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 124.399 2.047 . . . . 41.020000000000003 112.037 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' TRP . . . . . 1.172 ' CZ3' ' CZ3' ' C' ' 2' ' ' TRP . 76.0 t-105 -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 117.086 -1.846 . . . . 26.920000000000002 111.642 -176.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -57.04 -38.45 73.22 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.992 1.108 . . . . 15.24 113.992 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.9 76.66 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.482 -0.761 . . . . 12.57 109.333 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . 1.282 HD12 ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -72.91 -36.61 67.31 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 117.355 -1.738 . . . . 19.5 109.577 179.274 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -38.15 90.03 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 119.402 1.001 . . . . 38.030000000000001 110.411 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -69.93 -40.1 75.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.928 0.871 . . . . 21.02 109.362 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -59.33 -48.96 79.64 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.338 -0.846 . . . . 29.34 112.387 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -65.6 -36.53 84.02 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 108.689 -0.856 . . . . 16.210000000000001 108.689 -176.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.49 99.49 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.173 0.805 . . . . 14.18 113.173 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.49 90.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.3 -1.0 . . . . 16.129999999999999 108.3 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.6 -41.42 81.18 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.623 1.342 . . . . 17.260000000000002 114.623 174.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -61.49 -46.9 88.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 107.011 -1.477 . . . . 34.960000000000001 107.011 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -59.06 -45.91 89.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 119.261 -0.976 . . . . 24.75 113.442 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -61.87 -40.66 96.14 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 124.377 1.048 . . . . 31.609999999999999 110.866 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' B' ' 20' ' ' GLU . 6.7 tt -67.68 -39.15 84.48 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 118.972 -1.091 . . . . 27.800000000000001 110.443 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' B' 2011 ' ' HOH . 29.5 mt-30 -59.87 -41.85 92.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 117.275 -1.345 . . . . 39.130000000000003 110.441 174.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.76 98.38 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 124.883 2.278 . . . . 13.359999999999999 109.634 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.793 HD21 ' HG2' ' A' ' 20' ' ' GLU . 16.8 mt -72.0 -34.59 69.0 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 120.187 -1.571 . . . . 24.32 111.071 -176.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.826 ' HG2' HD11 ' C' ' 19' ' ' LEU . 85.4 mt-10 -61.3 -43.89 98.13 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.324 -0.86 . . . . 32.75 110.182 174.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.49 -35.21 78.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 118.399 0.545 . . . . 17.68 110.625 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.2 -40.76 90.61 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.84 0.712 . . . . 16.75 112.71 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' C' ' 22' ' ' LYS . 44.0 tp -64.27 -42.32 96.51 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 116.978 -1.889 . . . . 19.02 110.722 176.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.974 ' OE1' ' O ' ' C' 2015 ' ' HOH . 63.7 mm-40 -58.35 -40.06 81.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.845 -1.16 . . . . 30.489999999999998 111.958 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.0 -52.96 56.72 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.12 -1.067 . . . . 13.300000000000001 108.12 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.75 -30.9 71.63 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.777 1.028 . . . . 24.420000000000002 113.777 -175.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.844 ' OE2' ' O ' ' C' 2015 ' ' HOH . 96.1 mt-10 -60.09 -28.33 67.73 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-O 118.515 -0.755 . . . . 28.620000000000001 109.999 174.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -102.62 12.84 35.81 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 120.617 3.562 . . . . 26.199999999999999 120.617 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.96 0.86 25.55 Favored Glycine 0 C--O 1.236 0.223 0 C-N-CA 119.34 -1.41 . . . . 32.340000000000003 112.934 174.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.55 9.283 1 O-C-N 105.323 -10.516 . . . . 19.030000000000001 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.228 . . . . . . . . 10.880000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLU . . . . . 0.491 ' OE1' ' O ' ' C' 2003 ' ' HOH . 39.9 mm-40 -56.92 -44.13 82.11 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 114.713 1.375 . . . . 36.020000000000003 114.713 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' TRP . . . . . 1.172 ' CZ3' ' CZ3' ' B' ' 2' ' ' TRP . 14.6 t-105 -62.71 -55.12 29.67 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.949 -0.569 . . . . 38.509999999999998 110.146 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -50.78 -49.25 58.69 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 125.22 1.575 . . . . 21.850000000000001 110.445 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.08 74.75 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 123.226 1.488 . . . . 15.300000000000001 112.201 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.431 HD21 HD13 ' B' ' 5' ' ' LEU . 21.5 tp -71.09 -40.34 71.6 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 118.906 -1.118 . . . . 14.91 111.08 -178.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.864 ' OE1' ' O ' ' C' 2006 ' ' HOH . 64.1 mt-10 -60.14 -39.34 85.96 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 119.828 -0.749 . . . . 35.259999999999998 111.655 177.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.736 ' NZ ' ' O ' ' C' 2008 ' ' HOH . 32.5 mtpt -71.34 -35.97 71.37 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.596 1.188 . . . . 30.25 108.236 -177.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -67.35 -45.97 74.79 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.942 -1.503 . . . . 28.359999999999999 106.942 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.31 -39.98 95.0 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 117.968 -1.493 . . . . 16.719999999999999 109.725 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.53 93.89 Favored 'General case' 0 C--O 1.243 0.745 0 O-C-N 120.982 -1.074 . . . . 17.059999999999999 111.823 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.72 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.246 -1.39 . . . . 15.98 107.246 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.45 -40.64 95.23 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 117.872 -1.531 . . . . 20.989999999999998 109.894 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -60.09 -44.12 95.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 118.048 -0.977 . . . . 38.770000000000003 110.859 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 12.3 t -63.84 -39.09 93.4 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 124.122 1.915 . . . . 26.460000000000001 110.44 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' C' 2009 ' ' HOH . 23.5 mtmt -69.17 -40.19 78.28 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 112.666 -2.061 . . . . 36.789999999999999 108.884 -177.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 15' ' ' LYS . 6.5 tt -64.55 -35.27 80.43 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.469 -0.938 . . . . 26.859999999999999 108.469 -179.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.2 -41.86 94.11 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 122.833 1.302 . . . . 34.259999999999998 111.978 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.25 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.645 -1.616 . . . . 13.9 110.285 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.826 HD11 ' HG2' ' B' ' 20' ' ' GLU . 51.8 mt -67.5 -41.74 84.0 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 116.743 -1.598 . . . . 23.219999999999999 109.507 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.36 -35.65 80.88 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 117.531 -1.667 . . . . 25.620000000000001 107.298 -177.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -55.9 -46.93 78.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 123.628 1.68 . . . . 31.199999999999999 112.307 174.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LYS . . . . . 1.194 ' NZ ' ' O ' ' C' 2015 ' ' HOH . 65.4 mttp -69.64 -38.5 77.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.989 -1.005 . . . . 28.09 110.568 -177.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . 1.092 HD21 HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 123.934 0.771 . . . . 23.120000000000001 110.009 175.435 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -64.44 -40.03 94.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 119.104 -1.039 . . . . 14.09 110.665 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -40.23 92.19 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 121.733 0.777 . . . . 12.380000000000001 112.32 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.27 -42.87 99.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 120.171 -1.581 . . . . 21.109999999999999 112.692 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.58 -39.04 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 117.786 -1.102 . . . . 18.079999999999998 108.617 -172.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -110.9 -17.08 13.4 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 118.091 2.626 . . . . 14.75 118.091 -170.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.65 17.53 56.42 Favored Glycine 0 C--O 1.237 0.325 0 C-N-CA 118.844 -1.646 . . . . 21.530000000000001 112.697 -172.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.867 0 O-C-N 118.78 -2.6 . . . . 19.420000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1030 ' ' ARS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1031 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1032 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1030 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1031 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2013 ' ' HOH . . . . . 0.673 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2014 ' ' HOH . . . . . 0.534 ' O ' ' HE3' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2018 ' ' HOH . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' HOH . . . . . 0.635 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' HOH . . . . . 0.439 ' O ' ' CD ' ' B' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2003 ' ' HOH . . . . . 0.491 ' O ' ' OE1' ' C' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2006 ' ' HOH . . . . . 0.864 ' O ' ' OE1' ' C' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2008 ' ' HOH . . . . . 0.736 ' O ' ' NZ ' ' C' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 2009 ' ' HOH . . . . . 0.546 ' O ' ' HG3' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2015 ' ' HOH . . . . . 1.194 ' O ' ' NZ ' ' C' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_