data_3h5f_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 3h5f _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 1.225 -0.225 . . . . . . . . 35.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -49.55 -45.6 47.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.588 -1.32 . . . . 38.54 113.289 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TRP . . . . . 0.854 ' CH2' ' CD2' ' C' ' 5' ' ' LEU . 2.5 t-105 -64.35 -48.48 75.38 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.924 -0.31 . . . . 29.89 110.394 -179.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' OE1' 'CL ' ' A' ' 31' ' ' ' CL' . 45.3 mp0 -56.74 -48.22 78.29 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.113 0.883 . . . . 27.06 109.577 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.52 76.19 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.563 0.949 . . . . 26.21 113.563 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.5 -45.3 89.05 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 120.095 -0.642 . . . . 30.05 111.761 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -60.99 -41.8 97.17 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 123.709 0.631 . . . . 26.74 112.59 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.29 -38.34 87.53 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.857 -0.794 . . . . 34.35 108.857 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.83 -37.35 84.32 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.036 0.446 . . . . 31.68 110.048 179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.11 -44.88 90.91 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.072 0.397 . . . . 32.07 112.072 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.72 88.53 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.791 -0.764 . . . . 26.34 111.322 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.16 87.02 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 121.913 0.863 . . . . 25.05 110.721 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' B' ' 9' ' ' LEU . 21.1 mt -66.11 -34.11 77.32 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-N 114.989 -1.005 . . . . 26.22 112.003 178.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.46 -37.89 89.09 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 118.479 -1.288 . . . . 31.81 110.605 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -65.58 -37.9 87.97 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 122.251 -0.28 . . . . 21.97 111.369 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -69.76 -45.66 67.58 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-O 117.13 -1.414 . . . . 24.55 108.365 -176.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LE1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.85 -46.8 89.16 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 123.056 2.662 . . . . 32.52 109.612 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.66 -45.93 70.42 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 112.991 0.737 . . . . 24.33 112.991 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . 0.631 ' CD1' ' C9 ' ' B' ' 16' ' ' LE1 . 35.1 mt -70.55 -39.17 74.14 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 116.355 -0.384 . . . . 25.19 111.429 -176.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.59 -42.84 79.38 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 123.377 0.423 . . . . 40.63 111.451 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -71.15 -42.62 68.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.418 -0.513 . . . . 27.58 109.702 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -60.65 -44.67 96.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.223 -0.899 . . . . 33.44 110.931 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 11.0 mp -63.51 -39.15 93.69 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 118.346 -0.835 . . . . 31.38 111.437 176.387 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -59.53 -41.14 89.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 119.098 0.863 . . . . 25.04 111.174 174.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.55 66.46 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 119.673 -0.811 . . . . 25.42 111.32 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . 1.025 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 41.8 mt -61.06 -33.48 73.39 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 112.476 0.547 . . . . 28.14 112.476 -176.386 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -60.1 -30.94 69.59 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.667 -0.697 . . . . 33.97 109.505 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -104.68 16.0 26.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.68 0.622 . . . . 25.72 112.68 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.09 159.07 31.26 Favored Glycine 0 C--O 1.246 0.885 0 N-CA-C 110.717 -0.953 . . . . 28.67 110.717 170.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.272 -2.777 1 CA-C-N 103.517 -6.341 . . . . 33.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.631 . . . . . . . . 24.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . 0.725 ' OE2' ' O ' ' B' ' 44' ' ' HOH . 6.0 tp10 -67.15 -47.28 71.52 Favored 'General case' 0 C--O 1.201 -1.49 0 O-C-N 121.777 -0.577 . . . . 28.94 110.297 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -62.72 -45.84 90.89 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 120.591 -0.444 . . . . 26.29 110.62 -177.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . 0.568 ' OE1' 'CL ' ' B' ' 31' ' ' ' CL' . 57.6 mp0 -59.71 -41.8 91.64 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 115.663 -0.699 . . . . 29.03 111.424 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.54 89.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.319 -1.488 . . . . 24.28 112.627 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . 0.564 ' CD2' ' CH2' ' C' ' 2' ' ' TRP . 19.3 tp -68.58 -44.47 74.34 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.388 0.613 . . . . 26.47 110.504 179.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.87 -43.0 94.94 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.005 1.113 . . . . 26.14 114.005 172.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.79 -40.67 96.04 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.974 -0.454 . . . . 27.8 110.693 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -68.78 -42.02 77.98 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 116.456 -0.338 . . . . 27.75 110.613 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 22.0 tp -62.6 -44.14 97.06 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 122.098 0.951 . . . . 26.93 112.22 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.04 92.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 114.674 -1.148 . . . . 27.95 109.827 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.41 99.05 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.784 0.661 . . . . 26.88 112.784 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.9 -41.53 98.02 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.17 -0.331 . . . . 31.04 111.048 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -60.87 -39.04 87.68 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 122.058 -0.401 . . . . 36.06 111.322 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.3 m -70.54 -40.73 73.24 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-O 119.18 -0.438 . . . . 32.33 110.074 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.55 -43.49 98.77 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 117.094 -1.432 . . . . 34.68 110.162 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LE1 . . . . . 0.631 ' C9 ' ' CD1' ' A' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -65.66 -42.01 91.87 Favored 'General case' 0 N--CA 1.511 2.613 1 O-C-N 129.184 4.052 . . . . 34.53 109.256 -176.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.72 96.75 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.125 0.891 . . . . 23.74 108.96 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -39.32 87.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.908 1.077 . . . . 33.88 113.908 -178.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.26 -39.7 89.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.244 -0.982 . . . . 37.99 111.332 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -53.8 -50.99 64.9 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.31 0.485 . . . . 37.42 112.31 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' B' ' 38' ' ' HOH . 59.5 mttm -64.39 -36.52 84.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.434 0.901 . . . . 32.31 113.434 -179.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . 1.025 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 1.8 tp -64.69 -44.18 91.15 Favored 'General case' 0 C--O 1.203 -1.361 0 N-CA-C 109.284 -0.635 . . . . 31.3 109.284 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.86 -41.12 97.85 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-O 121.619 0.723 . . . . 26.73 111.177 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.7 91.82 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 114.165 1.172 . . . . 27.19 114.165 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . 0.784 ' CD1' ' CG ' ' C' ' 27' ' ' GLU . 78.5 mt -61.89 -42.37 99.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 113.52 0.933 . . . . 24.17 113.52 175.044 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -65.94 -46.33 78.58 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 118.424 0.556 . . . . 25.43 110.988 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -104.05 -17.72 14.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 117.045 2.239 . . . . 22.0 117.045 -169.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.74 173.48 22.75 Favored Glycine 0 N--CA 1.467 0.727 0 O-C-N 123.83 0.706 . . . . 27.84 112.62 -173.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.853 2 O-C-N 113.515 -5.697 . . . . 31.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.414 . . . . . . . . 28.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLU . . . . . 0.652 ' O ' ' CD1' ' C' ' 5' ' ' LEU . 49.6 tt0 -75.68 -38.22 58.9 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 116.293 -2.163 . . . . 27.08 112.405 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' TRP . . . . . 0.564 ' CH2' ' CD2' ' B' ' 5' ' ' LEU . 60.7 t-105 -63.43 -42.15 98.69 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 122.516 1.15 . . . . 30.9 110.28 176.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -66.82 -37.1 83.85 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.545 -0.752 . . . . 23.29 110.939 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.13 95.34 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.31 0.576 . . . . 21.51 111.018 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . 0.854 ' CD2' ' CH2' ' A' ' 2' ' ' TRP . 6.6 mp -64.63 -45.3 87.44 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-N 115.419 -0.809 . . . . 30.3 110.184 177.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 44' ' ' HOH . 87.7 mt-10 -61.27 -43.56 98.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.625 -1.23 . . . . 32.37 111.241 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -58.24 -43.23 87.7 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.478 0.548 . . . . 29.94 112.478 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -60.27 -44.01 95.68 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.249 -0.432 . . . . 30.91 112.151 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' B' ' 5' ' ' LEU . 7.0 tp -64.18 -42.4 96.69 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 122.279 -0.263 . . . . 30.21 111.038 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.42 97.49 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.435 -0.506 . . . . 23.98 110.471 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.24 -45.92 72.45 Favored 'General case' 0 C--O 1.285 2.967 0 C-N-CA 119.121 -1.032 . . . . 21.99 112.812 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.27 -45.11 93.02 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 121.531 0.681 . . . . 23.46 110.892 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -52.05 -47.73 64.96 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 114.199 1.185 . . . . 34.96 114.199 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 15.8 t -61.18 -39.67 91.05 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 123.848 0.859 . . . . 27.27 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -71.5 -42.72 67.66 Favored 'General case' 0 C--O 1.263 1.78 0 CA-C-O 115.226 -2.321 . . . . 28.7 111.959 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LE1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -60.42 -43.71 96.48 Favored 'General case' 0 C--N 1.27 -2.876 0 O-C-N 119.696 -1.877 . . . . 39.66 112.534 170.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.31 91.93 Favored 'General case' 0 C--O 1.256 1.445 0 CA-C-O 121.472 0.653 . . . . 22.32 111.298 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.74 -35.31 76.96 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 115.504 -0.771 . . . . 26.09 110.097 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -66.48 -36.6 83.14 Favored 'General case' 0 C--O 1.282 2.814 0 CA-C-O 122.616 1.198 . . . . 23.84 108.504 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -72.4 -39.03 68.25 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 108.113 -1.069 . . . . 25.87 108.113 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LYS . . . . . 0.817 ' O ' ' CD1' ' C' ' 26' ' ' LEU . 68.5 tttt -59.1 -47.55 84.86 Favored 'General case' 0 C--O 1.252 1.191 0 N-CA-C 113.382 0.882 . . . . 22.84 113.382 174.115 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.4 -43.74 96.36 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 121.843 0.83 . . . . 25.75 110.462 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' C' ' 71' ' ' HOH . 11.6 mm-40 -53.18 -45.14 68.41 Favored 'General case' 0 C--N 1.312 -1.054 0 O-C-N 121.104 -0.998 . . . . 33.06 113.047 175.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.22 80.29 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 124.495 1.118 . . . . 25.34 108.928 178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . 0.817 ' CD1' ' O ' ' C' ' 22' ' ' LYS . 6.4 mp -59.53 -36.45 76.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.331 0.652 . . . . 31.51 112.119 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . 0.784 ' CG ' ' CD1' ' B' ' 26' ' ' LEU . 76.6 mt-10 -65.39 -30.68 71.53 Favored 'General case' 0 C--O 1.254 1.324 0 N-CA-C 112.632 0.604 . . . . 25.46 112.632 -178.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' C' ' 24' ' ' GLU . 67.9 m80 -99.31 12.42 36.31 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.234 1.413 . . . . 27.24 114.295 178.175 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.31 -173.77 19.92 Favored Glycine 0 CA--C 1.5 -0.861 0 N-CA-C 110.889 -0.884 . . . . 29.06 110.889 169.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.077 2 O-C-N 140.385 10.109 . . . . 33.87 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ' CL' . . . . . 0.414 'CL ' ' OE1' ' A' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ' CL' . . . . . 0.568 'CL ' ' OE1' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . 0.517 ' O ' ' NZ ' ' B' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . 0.725 ' O ' ' OE2' ' B' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' HOH . . . . . 0.448 ' O ' ' OE1' ' C' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' HOH . . . . . 0.871 ' O ' ' OE1' ' C' ' 24' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.225 . . . . . . . . 35.149999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' B' ' 2' ' ' TRP . 15.2 tt0 -49.55 -45.6 47.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.588 -1.32 . . . . 38.539999999999999 113.289 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TRP . . . . . 1.309 ' CH2' HD22 ' C' ' 5' ' ' LEU . 2.5 t-105 -64.35 -48.48 75.38 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.924 -0.31 . . . . 29.890000000000001 110.394 -179.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' OE1' 'CL ' ' A' ' 31' ' ' ' CL' . 45.3 mp0 -56.74 -48.22 78.29 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.113 0.883 . . . . 27.059999999999999 109.577 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.52 76.19 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.563 0.949 . . . . 26.210000000000001 113.563 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 5' ' ' LEU . 7.0 tt -58.5 -45.3 89.05 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 120.095 -0.642 . . . . 30.050000000000001 111.761 176.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -60.99 -41.8 97.17 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 123.709 0.631 . . . . 26.739999999999998 112.59 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.29 -38.34 87.53 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.857 -0.794 . . . . 34.350000000000001 108.857 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.83 -37.35 84.32 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.036 0.446 . . . . 31.68 110.048 179.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.11 -44.88 90.91 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.072 0.397 . . . . 32.07 112.072 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.72 88.53 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.791 -0.764 . . . . 26.34 111.322 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.16 87.02 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 121.913 0.863 . . . . 25.050000000000001 110.721 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.647 HD12 HD11 ' B' ' 9' ' ' LEU . 21.1 mt -66.11 -34.11 77.32 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-N 114.989 -1.005 . . . . 26.219999999999999 112.003 178.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.46 -37.89 89.09 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 118.479 -1.288 . . . . 31.809999999999999 110.605 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -65.58 -37.9 87.97 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 122.251 -0.28 . . . . 21.969999999999999 111.369 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -69.76 -45.66 67.58 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-O 117.13 -1.414 . . . . 24.550000000000001 108.365 -176.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LE1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.85 -46.8 89.16 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 123.056 2.662 . . . . 32.520000000000003 109.612 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.66 -45.93 70.42 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 112.991 0.737 . . . . 24.329999999999998 112.991 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 23' ' ' LEU . 35.1 mt -70.55 -39.17 74.14 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 116.355 -0.384 . . . . 25.190000000000001 111.429 -176.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.59 -42.84 79.38 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 123.377 0.423 . . . . 40.630000000000003 111.451 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -71.15 -42.62 68.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.418 -0.513 . . . . 27.579999999999998 109.702 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -60.65 -44.67 96.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.223 -0.899 . . . . 33.439999999999998 110.931 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 19' ' ' LEU . 11.0 mp -63.51 -39.15 93.69 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 118.346 -0.835 . . . . 31.379999999999999 111.437 176.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -59.53 -41.14 89.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 119.098 0.863 . . . . 25.039999999999999 111.174 174.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.55 66.46 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 119.673 -0.811 . . . . 25.420000000000002 111.32 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 1.256 ' CD1' HD11 ' B' ' 23' ' ' LEU . 41.8 mt -61.06 -33.48 73.39 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 112.476 0.547 . . . . 28.140000000000001 112.476 -176.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -60.1 -30.94 69.59 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.667 -0.697 . . . . 33.969999999999999 109.505 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -104.68 16.0 26.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.68 0.622 . . . . 25.719999999999999 112.68 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.09 159.07 31.26 Favored Glycine 0 C--O 1.246 0.885 0 N-CA-C 110.717 -0.953 . . . . 28.670000000000002 110.717 170.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.272 -2.777 1 CA-C-N 103.517 -6.341 . . . . 33.399999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.631 . . . . . . . . 24.899999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . 0.725 ' OE2' ' O ' ' B' ' 44' ' ' HOH . 6.0 tp10 -67.15 -47.28 71.52 Favored 'General case' 0 C--O 1.201 -1.49 0 O-C-N 121.777 -0.577 . . . . 28.940000000000001 110.297 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 1' ' ' GLU . 36.8 t-105 -62.72 -45.84 90.89 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 120.591 -0.444 . . . . 26.289999999999999 110.62 -177.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . 0.568 ' OE1' 'CL ' ' B' ' 31' ' ' ' CL' . 57.6 mp0 -59.71 -41.8 91.64 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 115.663 -0.699 . . . . 29.030000000000001 111.424 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.54 89.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.319 -1.488 . . . . 24.280000000000001 112.627 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . 0.682 HD12 ' CD2' ' C' ' 9' ' ' LEU . 19.3 tp -68.58 -44.47 74.34 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.388 0.613 . . . . 26.469999999999999 110.504 179.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.87 -43.0 94.94 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.005 1.113 . . . . 26.140000000000001 114.005 172.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.79 -40.67 96.04 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.974 -0.454 . . . . 27.800000000000001 110.693 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -68.78 -42.02 77.98 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 116.456 -0.338 . . . . 27.75 110.613 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.647 HD11 HD12 ' A' ' 12' ' ' LEU . 22.0 tp -62.6 -44.14 97.06 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 122.098 0.951 . . . . 26.93 112.22 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.04 92.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 114.674 -1.148 . . . . 27.949999999999999 109.827 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.41 99.05 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.784 0.661 . . . . 26.879999999999999 112.784 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.9 -41.53 98.02 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.17 -0.331 . . . . 31.039999999999999 111.048 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 60.4 mt-10 -60.87 -39.04 87.68 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 122.058 -0.401 . . . . 36.060000000000002 111.322 178.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.3 m -70.54 -40.73 73.24 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-O 119.18 -0.438 . . . . 32.329999999999998 110.074 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.55 -43.49 98.77 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 117.094 -1.432 . . . . 34.68 110.162 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LE1 . . . . . 0.631 ' C9 ' ' CD1' ' A' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' B' ' 13' ' ' GLU . 68.8 mt-30 -65.66 -42.01 91.87 Favored 'General case' 0 N--CA 1.511 2.613 1 O-C-N 129.184 4.052 . . . . 34.530000000000001 109.256 -176.64 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.72 96.75 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.125 0.891 . . . . 23.739999999999998 108.96 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . 0.659 ' CD1' ' H1 ' ' C' ' 34' ' ' ACT . 0.4 OUTLIER -66.86 -39.32 87.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.908 1.077 . . . . 33.880000000000003 113.908 -178.624 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.26 -39.7 89.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.244 -0.982 . . . . 37.990000000000002 111.332 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -53.8 -50.99 64.9 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.31 0.485 . . . . 37.420000000000002 112.31 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . 0.481 ' CD ' ' H2 ' ' C' ' 34' ' ' ACT . 59.5 mttm -64.39 -36.52 84.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.434 0.901 . . . . 32.310000000000002 113.434 -179.718 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . 1.256 HD11 ' CD1' ' A' ' 26' ' ' LEU . 1.8 tp -64.69 -44.18 91.15 Favored 'General case' 0 C--O 1.203 -1.361 0 N-CA-C 109.284 -0.635 . . . . 31.300000000000001 109.284 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.86 -41.12 97.85 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-O 121.619 0.723 . . . . 26.73 111.177 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.7 91.82 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 114.165 1.172 . . . . 27.190000000000001 114.165 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 1.094 HD11 ' CG ' ' C' ' 27' ' ' GLU . 78.5 mt -61.89 -42.37 99.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 113.52 0.933 . . . . 24.170000000000002 113.52 175.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -65.94 -46.33 78.58 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 118.424 0.556 . . . . 25.43 110.988 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -104.05 -17.72 14.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 117.045 2.239 . . . . 22.0 117.045 -169.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.74 173.48 22.75 Favored Glycine 0 N--CA 1.467 0.727 0 O-C-N 123.83 0.706 . . . . 27.84 112.62 -173.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.853 2 O-C-N 113.515 -5.697 . . . . 31.710000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.414 . . . . . . . . 28.359999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLU . . . . . 0.652 ' O ' ' CD1' ' C' ' 5' ' ' LEU . 49.6 tt0 -75.68 -38.22 58.9 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 116.293 -2.163 . . . . 27.079999999999998 112.405 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 2' ' ' TRP . . . . . 0.67 ' CZ2' HD22 ' B' ' 5' ' ' LEU . 60.7 t-105 -63.43 -42.15 98.69 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 122.516 1.15 . . . . 30.899999999999999 110.28 176.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -66.82 -37.1 83.85 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.545 -0.752 . . . . 23.289999999999999 110.939 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.13 95.34 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.31 0.576 . . . . 21.510000000000002 111.018 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . 1.309 HD22 ' CH2' ' A' ' 2' ' ' TRP . 6.6 mp -64.63 -45.3 87.44 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-N 115.419 -0.809 . . . . 30.300000000000001 110.184 177.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 44' ' ' HOH . 87.7 mt-10 -61.27 -43.56 98.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.625 -1.23 . . . . 32.369999999999997 111.241 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -58.24 -43.23 87.7 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.478 0.548 . . . . 29.940000000000001 112.478 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -60.27 -44.01 95.68 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.249 -0.432 . . . . 30.91 112.151 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . 0.682 ' CD2' HD12 ' B' ' 5' ' ' LEU . 7.0 tp -64.18 -42.4 96.69 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 122.279 -0.263 . . . . 30.210000000000001 111.038 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.42 97.49 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.435 -0.506 . . . . 23.98 110.471 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.24 -45.92 72.45 Favored 'General case' 0 C--O 1.285 2.967 0 C-N-CA 119.121 -1.032 . . . . 21.989999999999998 112.812 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.27 -45.11 93.02 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 121.531 0.681 . . . . 23.460000000000001 110.892 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' C' ' 17' ' ' GLN . 45.3 mt-10 -52.05 -47.73 64.96 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 114.199 1.185 . . . . 34.960000000000001 114.199 173.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 15.8 t -61.18 -39.67 91.05 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 123.848 0.859 . . . . 27.27 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -71.5 -42.72 67.66 Favored 'General case' 0 C--O 1.263 1.78 0 CA-C-O 115.226 -2.321 . . . . 28.699999999999999 111.959 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LE1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' C' ' 13' ' ' GLU . 19.1 mm100 -60.42 -43.71 96.48 Favored 'General case' 0 C--N 1.27 -2.876 0 O-C-N 119.696 -1.877 . . . . 39.659999999999997 112.534 170.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.31 91.93 Favored 'General case' 0 C--O 1.256 1.445 0 CA-C-O 121.472 0.653 . . . . 22.32 111.298 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . 0.629 HD22 HD22 ' A' ' 23' ' ' LEU . 71.6 mt -68.74 -35.31 76.96 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 115.504 -0.771 . . . . 26.09 110.097 -176.758 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . 0.617 ' HG2' HD11 ' B' ' 19' ' ' LEU . 91.5 mt-10 -66.48 -36.6 83.14 Favored 'General case' 0 C--O 1.282 2.814 0 CA-C-O 122.616 1.198 . . . . 23.84 108.504 178.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -72.4 -39.03 68.25 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 108.113 -1.069 . . . . 25.870000000000001 108.113 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LYS . . . . . 0.817 ' O ' ' CD1' ' C' ' 26' ' ' LEU . 68.5 tttt -59.1 -47.55 84.86 Favored 'General case' 0 C--O 1.252 1.191 0 N-CA-C 113.382 0.882 . . . . 22.84 113.382 174.115 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . 0.773 HD11 HD12 ' B' ' 26' ' ' LEU . 28.5 tp -60.4 -43.74 96.36 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 121.843 0.83 . . . . 25.75 110.462 177.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' C' ' 71' ' ' HOH . 11.6 mm-40 -53.18 -45.14 68.41 Favored 'General case' 0 C--N 1.312 -1.054 0 O-C-N 121.104 -0.998 . . . . 33.060000000000002 113.047 175.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.22 80.29 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 124.495 1.118 . . . . 25.34 108.928 178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . 0.817 ' CD1' ' O ' ' C' ' 22' ' ' LYS . 6.4 mp -59.53 -36.45 76.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.331 0.652 . . . . 31.510000000000002 112.119 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . 1.094 ' CG ' HD11 ' B' ' 26' ' ' LEU . 76.6 mt-10 -65.39 -30.68 71.53 Favored 'General case' 0 C--O 1.254 1.324 0 N-CA-C 112.632 0.604 . . . . 25.460000000000001 112.632 -178.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -99.31 12.42 36.31 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.234 1.413 . . . . 27.239999999999998 114.295 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.31 -173.77 19.92 Favored Glycine 0 CA--C 1.5 -0.861 0 N-CA-C 110.889 -0.884 . . . . 29.059999999999999 110.889 169.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.077 2 O-C-N 140.385 10.109 . . . . 33.869999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ' CL' . . . . . 0.414 'CL ' ' OE1' ' A' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ' CL' . . . . . 0.568 'CL ' ' OE1' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ACT . . . . . 0.659 ' H1 ' ' CD1' ' B' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . 0.725 ' O ' ' OE2' ' B' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 53' ' ' HOH . . . . . 0.448 ' O ' ' OE1' ' C' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 71' ' ' HOH . . . . . 0.871 ' O ' ' OE1' ' C' ' 24' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.225 . . . . . . . . 35.149999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' B' ' 2' ' ' TRP . 15.2 tt0 -49.55 -45.6 47.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.588 -1.32 . . . . 38.539999999999999 113.289 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.309 ' CH2' HD22 ' C' ' 5' ' ' LEU . 2.5 t-105 -64.35 -48.48 75.38 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.924 -0.31 . . . . 29.890000000000001 110.394 -179.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' OE1' 'CL ' ' A' ' 31' ' ' ' CL' . 45.3 mp0 -56.74 -48.22 78.29 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.113 0.883 . . . . 27.059999999999999 109.577 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.52 76.19 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.563 0.949 . . . . 26.210000000000001 113.563 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 5' ' ' LEU . 7.0 tt -58.5 -45.3 89.05 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 120.095 -0.642 . . . . 30.050000000000001 111.761 176.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -60.99 -41.8 97.17 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 123.709 0.631 . . . . 26.739999999999998 112.59 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.29 -38.34 87.53 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.857 -0.794 . . . . 34.350000000000001 108.857 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.83 -37.35 84.32 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.036 0.446 . . . . 31.68 110.048 179.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.11 -44.88 90.91 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.072 0.397 . . . . 32.07 112.072 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.72 88.53 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.791 -0.764 . . . . 26.34 111.322 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.16 87.02 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 121.913 0.863 . . . . 25.050000000000001 110.721 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.647 HD12 HD11 ' B' ' 9' ' ' LEU . 21.1 mt -66.11 -34.11 77.32 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-N 114.989 -1.005 . . . . 26.219999999999999 112.003 178.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.46 -37.89 89.09 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 118.479 -1.288 . . . . 31.809999999999999 110.605 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -65.58 -37.9 87.97 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 122.251 -0.28 . . . . 21.969999999999999 111.369 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -69.76 -45.66 67.58 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-O 117.13 -1.414 . . . . 24.550000000000001 108.365 -176.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LE1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -60.85 -46.8 89.16 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 123.056 2.662 . . . . 32.520000000000003 109.612 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.66 -45.93 70.42 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 112.991 0.737 . . . . 24.329999999999998 112.991 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 23' ' ' LEU . 35.1 mt -70.55 -39.17 74.14 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 116.355 -0.384 . . . . 25.190000000000001 111.429 -176.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.59 -42.84 79.38 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 123.377 0.423 . . . . 40.630000000000003 111.451 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -71.15 -42.62 68.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 120.418 -0.513 . . . . 27.579999999999998 109.702 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -60.65 -44.67 96.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.223 -0.899 . . . . 33.439999999999998 110.931 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 19' ' ' LEU . 11.0 mp -63.51 -39.15 93.69 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 118.346 -0.835 . . . . 31.379999999999999 111.437 176.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -59.53 -41.14 89.33 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 119.098 0.863 . . . . 25.039999999999999 111.174 174.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.55 66.46 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 119.673 -0.811 . . . . 25.420000000000002 111.32 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.256 ' CD1' HD11 ' B' ' 23' ' ' LEU . 41.8 mt -61.06 -33.48 73.39 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 112.476 0.547 . . . . 28.140000000000001 112.476 -176.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -60.1 -30.94 69.59 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 115.667 -0.697 . . . . 33.969999999999999 109.505 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -104.68 16.0 26.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.68 0.622 . . . . 25.719999999999999 112.68 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.09 159.07 31.26 Favored Glycine 0 C--O 1.246 0.885 0 N-CA-C 110.717 -0.953 . . . . 28.670000000000002 110.717 170.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.272 -2.777 1 CA-C-N 103.517 -6.341 . . . . 33.399999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.631 . . . . . . . . 24.899999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.725 ' OE2' ' O ' ' B' ' 44' ' ' HOH . 6.0 tp10 -67.15 -47.28 71.52 Favored 'General case' 0 C--O 1.201 -1.49 0 O-C-N 121.777 -0.577 . . . . 28.940000000000001 110.297 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 1' ' ' GLU . 36.8 t-105 -62.72 -45.84 90.89 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 120.591 -0.444 . . . . 26.289999999999999 110.62 -177.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.568 ' OE1' 'CL ' ' B' ' 31' ' ' ' CL' . 57.6 mp0 -59.71 -41.8 91.64 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 115.663 -0.699 . . . . 29.030000000000001 111.424 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.54 89.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.319 -1.488 . . . . 24.280000000000001 112.627 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.682 HD12 ' CD2' ' C' ' 9' ' ' LEU . 19.3 tp -68.58 -44.47 74.34 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.388 0.613 . . . . 26.469999999999999 110.504 179.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.87 -43.0 94.94 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.005 1.113 . . . . 26.140000000000001 114.005 172.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.79 -40.67 96.04 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.974 -0.454 . . . . 27.800000000000001 110.693 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -68.78 -42.02 77.98 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 116.456 -0.338 . . . . 27.75 110.613 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.647 HD11 HD12 ' A' ' 12' ' ' LEU . 22.0 tp -62.6 -44.14 97.06 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 122.098 0.951 . . . . 26.93 112.22 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.04 92.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 114.674 -1.148 . . . . 27.949999999999999 109.827 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.41 99.05 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.784 0.661 . . . . 26.879999999999999 112.784 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.9 -41.53 98.02 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.17 -0.331 . . . . 31.039999999999999 111.048 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 60.4 mt-10 -60.87 -39.04 87.68 Favored 'General case' 0 N--CA 1.431 -1.387 0 O-C-N 122.058 -0.401 . . . . 36.060000000000002 111.322 178.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.3 m -70.54 -40.73 73.24 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-O 119.18 -0.438 . . . . 32.329999999999998 110.074 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.55 -43.49 98.77 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 117.094 -1.432 . . . . 34.68 110.162 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LE1 . . . . . 0.631 ' C9 ' ' CD1' ' A' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' B' ' 13' ' ' GLU . 68.8 mt-30 -65.66 -42.01 91.87 Favored 'General case' 0 N--CA 1.511 2.613 1 O-C-N 129.184 4.052 . . . . 34.530000000000001 109.256 -176.64 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.72 96.75 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.125 0.891 . . . . 23.739999999999998 108.96 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.659 ' CD1' ' H1 ' ' C' ' 34' ' ' ACT . 0.4 OUTLIER -66.86 -39.32 87.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.908 1.077 . . . . 33.880000000000003 113.908 -178.624 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.26 -39.7 89.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.244 -0.982 . . . . 37.990000000000002 111.332 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -53.8 -50.99 64.9 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.31 0.485 . . . . 37.420000000000002 112.31 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.481 ' CD ' ' H2 ' ' C' ' 34' ' ' ACT . 59.5 mttm -64.39 -36.52 84.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.434 0.901 . . . . 32.310000000000002 113.434 -179.718 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . 1.256 HD11 ' CD1' ' A' ' 26' ' ' LEU . 1.8 tp -64.69 -44.18 91.15 Favored 'General case' 0 C--O 1.203 -1.361 0 N-CA-C 109.284 -0.635 . . . . 31.300000000000001 109.284 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.86 -41.12 97.85 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-O 121.619 0.723 . . . . 26.73 111.177 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.7 91.82 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 114.165 1.172 . . . . 27.190000000000001 114.165 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.094 HD11 ' CG ' ' C' ' 27' ' ' GLU . 78.5 mt -61.89 -42.37 99.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 113.52 0.933 . . . . 24.170000000000002 113.52 175.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -65.94 -46.33 78.58 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 118.424 0.556 . . . . 25.43 110.988 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -104.05 -17.72 14.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 117.045 2.239 . . . . 22.0 117.045 -169.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.74 173.48 22.75 Favored Glycine 0 N--CA 1.467 0.727 0 O-C-N 123.83 0.706 . . . . 27.84 112.62 -173.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.853 2 O-C-N 113.515 -5.697 . . . . 31.710000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.414 . . . . . . . . 28.359999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLU . . . . . 0.652 ' O ' ' CD1' ' C' ' 5' ' ' LEU . 49.6 tt0 -75.68 -38.22 58.9 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 116.293 -2.163 . . . . 27.079999999999998 112.405 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' TRP . . . . . 0.67 ' CZ2' HD22 ' B' ' 5' ' ' LEU . 60.7 t-105 -63.43 -42.15 98.69 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 122.516 1.15 . . . . 30.899999999999999 110.28 176.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -66.82 -37.1 83.85 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.545 -0.752 . . . . 23.289999999999999 110.939 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.28 -40.13 95.34 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.31 0.576 . . . . 21.510000000000002 111.018 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . 1.309 HD22 ' CH2' ' A' ' 2' ' ' TRP . 6.6 mp -64.63 -45.3 87.44 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-N 115.419 -0.809 . . . . 30.300000000000001 110.184 177.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.482 ' OE2' ' O ' ' B' ' 44' ' ' HOH . 87.7 mt-10 -61.27 -43.56 98.67 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.625 -1.23 . . . . 32.369999999999997 111.241 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -58.24 -43.23 87.7 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.478 0.548 . . . . 29.940000000000001 112.478 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -60.27 -44.01 95.68 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.249 -0.432 . . . . 30.91 112.151 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.682 ' CD2' HD12 ' B' ' 5' ' ' LEU . 7.0 tp -64.18 -42.4 96.69 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 122.279 -0.263 . . . . 30.210000000000001 111.038 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.42 97.49 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.435 -0.506 . . . . 23.98 110.471 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.24 -45.92 72.45 Favored 'General case' 0 C--O 1.285 2.967 0 C-N-CA 119.121 -1.032 . . . . 21.989999999999998 112.812 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.27 -45.11 93.02 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 121.531 0.681 . . . . 23.460000000000001 110.892 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' C' ' 17' ' ' GLN . 45.3 mt-10 -52.05 -47.73 64.96 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 114.199 1.185 . . . . 34.960000000000001 114.199 173.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 15.8 t -61.18 -39.67 91.05 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 123.848 0.859 . . . . 27.27 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -71.5 -42.72 67.66 Favored 'General case' 0 C--O 1.263 1.78 0 CA-C-O 115.226 -2.321 . . . . 28.699999999999999 111.959 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LE1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' C' ' 13' ' ' GLU . 19.1 mm100 -60.42 -43.71 96.48 Favored 'General case' 0 C--N 1.27 -2.876 0 O-C-N 119.696 -1.877 . . . . 39.659999999999997 112.534 170.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.31 91.93 Favored 'General case' 0 C--O 1.256 1.445 0 CA-C-O 121.472 0.653 . . . . 22.32 111.298 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.629 HD22 HD22 ' A' ' 23' ' ' LEU . 71.6 mt -68.74 -35.31 76.96 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 115.504 -0.771 . . . . 26.09 110.097 -176.758 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.617 ' HG2' HD11 ' B' ' 19' ' ' LEU . 91.5 mt-10 -66.48 -36.6 83.14 Favored 'General case' 0 C--O 1.282 2.814 0 CA-C-O 122.616 1.198 . . . . 23.84 108.504 178.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -72.4 -39.03 68.25 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 108.113 -1.069 . . . . 25.870000000000001 108.113 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.817 ' O ' ' CD1' ' C' ' 26' ' ' LEU . 68.5 tttt -59.1 -47.55 84.86 Favored 'General case' 0 C--O 1.252 1.191 0 N-CA-C 113.382 0.882 . . . . 22.84 113.382 174.115 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.773 HD11 HD12 ' B' ' 26' ' ' LEU . 28.5 tp -60.4 -43.74 96.36 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-O 121.843 0.83 . . . . 25.75 110.462 177.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' C' ' 71' ' ' HOH . 11.6 mm-40 -53.18 -45.14 68.41 Favored 'General case' 0 C--N 1.312 -1.054 0 O-C-N 121.104 -0.998 . . . . 33.060000000000002 113.047 175.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.22 80.29 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 124.495 1.118 . . . . 25.34 108.928 178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.817 ' CD1' ' O ' ' C' ' 22' ' ' LYS . 6.4 mp -59.53 -36.45 76.15 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.331 0.652 . . . . 31.510000000000002 112.119 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . 1.094 ' CG ' HD11 ' B' ' 26' ' ' LEU . 76.6 mt-10 -65.39 -30.68 71.53 Favored 'General case' 0 C--O 1.254 1.324 0 N-CA-C 112.632 0.604 . . . . 25.460000000000001 112.632 -178.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -99.31 12.42 36.31 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.234 1.413 . . . . 27.239999999999998 114.295 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.31 -173.77 19.92 Favored Glycine 0 CA--C 1.5 -0.861 0 N-CA-C 110.889 -0.884 . . . . 29.059999999999999 110.889 169.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.077 2 O-C-N 140.385 10.109 . . . . 33.869999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ' CL' . . . . . 0.414 'CL ' ' OE1' ' A' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ' CL' . . . . . 0.568 'CL ' ' OE1' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ACT . . . . . 0.659 ' H1 ' ' CD1' ' B' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . 0.725 ' O ' ' OE2' ' B' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' HOH . . . . . 0.448 ' O ' ' OE1' ' C' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' HOH . . . . . 0.871 ' O ' ' OE1' ' C' ' 24' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_