data_1wrp_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 1wrp _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 ' R' R ' 4' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 109.295 -0.631 . . . . 25.17 109.295 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.12 142.12 98.5 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 114.43 -1.259 . . . . 24.32 111.242 -179.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -64.42 3.14 0.9 Allowed 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.14 3.227 . . . . 23.78 112.771 -179.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -157.95 96.52 1.48 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 104.477 -2.416 . . . . 24.31 104.477 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 42.1 m -87.38 116.19 25.3 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 110.803 -2.908 . . . . 25.41 106.801 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.82 -88.99 0.61 Allowed 'General case' 0 C--O 1.255 1.367 0 N-CA-C 104.73 -2.322 . . . . 25.2 104.73 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.28 -41.79 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.746 -2.025 . . . . 24.28 105.848 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mmt -75.76 -46.81 28.78 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 126.908 2.63 . . . . 23.99 108.75 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.18 -57.15 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.029 1.456 . . . . 20.43 110.747 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -49.28 -44.87 44.29 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.069 1.748 . . . . 19.92 109.159 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . . . -59.83 -55.52 33.21 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 124.869 1.355 . . . . 16.58 110.85 -178.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -52.58 -41.08 63.29 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 114.957 -1.019 . . . . 15.62 109.885 175.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -63.21 -43.11 99.04 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 124.52 1.137 . . . . 14.35 113.264 -179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 17' ' ' GLN . . . . . 0.581 ' CG ' ' O ' ' R' ' 131' ' ' HOH . 27.7 mm100 -67.82 -37.42 81.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 125.228 1.411 . . . . 16.15 110.443 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.47 -33.92 76.63 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 125.675 1.859 . . . . 12.61 110.169 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -70.25 -40.18 74.57 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 125.296 1.623 . . . . 11.23 109.184 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.16 -35.47 79.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.977 2.048 . . . . 11.56 110.355 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 21' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.4 -31.96 73.26 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 125.144 1.528 . . . . 11.99 111.123 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.25 -45.53 63.01 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 125.248 1.419 . . . . 10.82 110.743 176.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.82 -50.77 78.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 124.265 1.026 . . . . 11.56 109.528 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . 0.357 38.7 t70 -60.63 -44.42 96.38 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 125.954 2.033 . . . . 14.29 111.821 177.134 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.59 -52.98 52.64 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.071 -0.715 . . . . 12.35 109.071 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.83 -45.76 91.4 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 113.496 -1.684 . . . . 12.64 112.294 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -49.85 -47.01 51.94 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.422 1.076 . . . . 15.54 108.53 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 28' ' ' ASN . . . . . 0.64 ' OD1' ' O ' ' R' ' 132' ' ' HOH . 12.5 t30 -63.14 -50.57 69.9 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.872 -1.967 . . . . 16.35 110.234 -178.6 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.36 40.53 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 125.503 1.752 . . . . 14.39 109.054 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.8 -49.48 76.49 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 125.985 2.053 . . . . 15.23 109.826 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.42 -23.36 49.02 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.854 1.346 . . . . 18.96 112.54 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -107.28 2.25 24.44 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 113.661 0.986 . . . . 16.82 113.661 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.18 34.87 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 125.907 2.005 . . . . 17.51 108.984 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 31.3 mt -119.37 16.64 13.04 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.781 1.301 . . . . 14.17 110.238 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -63.16 -48.17 79.56 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 125.142 1.526 . . . . 13.68 112.403 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 36' ' ' LEU . . . . . . . . . . . . 0.378 9.2 mt -55.87 -61.44 6.37 Favored Pre-proline 0 C--O 1.245 0.864 0 O-C-N 125.137 1.523 . . . . 12.94 113.524 -176.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 37' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -56.55 -35.53 97.01 Favored 'Trans proline' 0 C--O 1.252 1.207 0 C-N-CA 123.533 2.822 . . . . 11.34 113.977 175.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 38' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.21 -52.23 64.62 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 120.238 1.381 . . . . 9.75 113.046 176.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.04 -37.21 81.8 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 125.031 1.333 . . . . 9.0 110.053 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.84 -46.23 88.91 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.048 -1.464 . . . . 9.99 107.048 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -61.36 -49.44 76.94 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 126.519 2.387 . . . . 8.42 112.223 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 58.4 mmm -76.26 -20.36 57.46 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 117.055 2.243 . . . . 10.05 117.055 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 39.4 mt -120.69 148.63 43.68 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.906 1.076 . . . . 6.3 113.906 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 44' ' ' THR . . . . . . . . . . . . . 39.6 p -81.57 157.05 70.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 124.602 1.189 . . . . 4.79 108.981 172.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -50.06 -45.83 31.14 Favored 'Trans proline' 0 C--O 1.256 1.421 0 C-N-CA 123.505 2.804 . . . . 4.91 112.099 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . . . -66.02 -38.56 88.73 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 127.243 2.217 . . . . 5.65 112.686 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.45 -39.78 85.37 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.24 0.962 . . . . 7.04 111.326 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.88 -51.91 62.39 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.264 1.03 . . . . 5.45 108.978 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.22 -45.46 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.042 -0.981 . . . . 7.36 111.123 173.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 50' ' ' ALA . . . . . . . . . . . . 0.291 . . -64.6 -35.9 82.49 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 123.948 0.78 . . . . 5.91 112.845 -179.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.38 -44.11 84.05 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 124.471 1.109 . . . . 6.63 108.811 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.6 92.58 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 124.474 1.108 . . . . 6.99 111.699 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 61.8 m -73.93 -44.98 53.24 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 124.918 1.01 . . . . 8.19 112.18 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 54' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.71 -31.91 62.87 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 124.67 1.231 . . . . 7.64 111.802 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.26 -46.23 96.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.711 -0.848 . . . . 8.1 108.711 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -62.93 -45.5 92.17 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 124.968 1.417 . . . . 11.77 112.194 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 57' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.85 -44.85 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.416 1.073 . . . . 7.89 109.391 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 58' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.81 -48.96 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 125.842 1.964 . . . . 8.67 107.013 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.45 -53.41 23.07 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 115.186 1.551 . . . . 13.76 115.186 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 60' ' ' GLU . . . . . 0.584 ' CG ' ' CE ' ' R' ' 66' ' ' MET . 55.9 mm-40 -76.04 -21.88 56.32 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 126.17 1.788 . . . . 11.64 114.618 -175.049 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.42 -41.43 66.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.84 -0.8 . . . . 8.87 108.84 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -68.42 -41.59 80.16 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 124.649 1.218 . . . . 9.24 110.296 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -61.37 -43.12 99.42 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.276 -1.329 . . . . 10.82 111.783 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.02 24.36 69.35 Favored Glycine 0 C--O 1.252 1.275 0 N-CA-C 118.302 2.081 . . . . 10.51 118.302 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -102.86 -47.9 4.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 125.823 1.649 . . . . 12.18 112.052 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 66' ' ' MET . . . . . 0.584 ' CE ' ' CG ' ' R' ' 60' ' ' GLU . 6.4 mtt -67.8 137.25 55.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.977 1.423 . . . . 14.58 109.623 -177.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 52.8 p -92.27 168.13 11.54 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 126.838 2.586 . . . . 14.09 108.272 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -44.01 -57.08 3.55 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 113.115 -1.857 . . . . 17.66 112.866 174.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.91 79.05 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 124.099 0.874 . . . . 17.17 110.315 -177.858 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.26 -49.62 71.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.775 1.297 . . . . 14.83 113.296 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 71' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.45 -47.49 79.05 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 125.599 1.559 . . . . 14.99 111.202 178.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -49.39 68.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.085 -1.416 . . . . 17.72 113.324 -177.235 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.94 -29.69 50.05 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 115.301 1.593 . . . . 17.94 115.301 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -99.75 -34.67 10.08 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 124.153 0.908 . . . . 19.01 113.16 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -112.6 -6.2 13.94 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 114.014 1.116 . . . . 20.11 114.014 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 76' ' ' GLY . . . . . 0.691 ' CA ' ' O ' ' R' ' 148' ' ' HOH . . . 78.32 27.05 58.42 Favored Glycine 0 C--O 1.258 1.642 0 C-N-CA 124.646 1.117 . . . . 20.16 115.425 -178.256 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.66 105.18 14.67 Favored 'General case' 0 C--O 1.25 1.092 0 N-CA-C 116.878 2.177 . . . . 20.15 116.878 -176.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.6 168.81 26.81 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 109.848 -1.301 . . . . 20.63 109.848 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 79' ' ' ILE . . . . . 0.507 ' O ' ' OG1' ' R' ' 83' ' ' THR 0.26 83.2 mt -29.14 -41.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.701 0 N-CA-C 116.982 2.216 . . . . 21.72 116.982 179.697 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -61.66 1.84 Allowed 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.643 0.777 . . . . 22.06 111.986 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -54.69 -45.67 73.99 Favored 'General case' 0 C--O 1.249 1.058 0 C-N-CA 125.167 1.387 . . . . 21.8 112.84 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 mm -68.83 -22.1 26.29 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 126.024 2.077 . . . . 21.81 109.704 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 83' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' R' ' 79' ' ' ILE . 31.4 m -76.59 -46.88 24.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 126.75 2.531 . . . . 21.05 107.437 176.289 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -57.36 -50.11 74.01 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.607 0.763 . . . . 20.81 111.488 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.04 -42.86 99.94 Favored Glycine 0 C--N 1.31 -0.863 0 C-N-CA 125.149 1.357 . . . . 18.31 111.654 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 6.0 t -64.39 -59.71 4.04 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 115.835 1.791 . . . . 17.09 115.835 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . 0.253 1.6 m120 -64.29 -29.09 70.19 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.865 0.866 . . . . 16.4 108.938 -179.419 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.36 75.6 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.533 2.395 . . . . 14.04 109.614 179.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.365 -1.743 . . . . 13.86 109.912 -178.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -65.93 -32.35 73.8 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 114.909 -1.041 . . . . 16.87 111.601 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.01 -19.48 57.19 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.169 1.174 . . . . 15.21 114.169 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.91 142.08 82.61 Favored Pre-proline 0 N--CA 1.484 1.241 0 N-CA-C 106.493 -1.669 . . . . 15.62 106.493 -177.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -62.98 151.95 81.92 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 O-C-N 126.747 2.972 . . . . 15.71 104.581 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 94' ' ' VAL . . . . . . . . . . . . . 5.6 p -58.48 -24.25 24.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 115.107 1.521 . . . . 15.97 115.107 -175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -70.03 -36.61 75.18 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 117.76 -1.114 . . . . 17.48 109.176 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.19 -45.1 67.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 126.891 2.619 . . . . 16.08 108.77 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 97' ' ' ARG . . . . . . . . . . . . 0.292 9.7 mtp180 -58.64 -42.1 87.53 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 117.525 -1.226 . . . . 17.97 109.944 179.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 98' ' ' GLN . . . . . . . . . . . . 0.38 0.0 OUTLIER -63.96 -50.49 68.4 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 124.993 1.433 . . . . 19.74 110.246 176.417 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . 0.259 88.8 t90 -56.77 -47.08 80.94 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.476 1.511 . . . . 17.07 114.356 -179.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 62.8 mt -57.17 -39.29 75.02 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.592 1.183 . . . . 18.19 111.256 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -54.41 -55.8 25.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.876 1.27 . . . . 21.62 110.911 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.31 -50.52 73.33 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 112.427 -2.169 . . . . 23.24 110.156 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . 0.43 13.6 t -78.1 -49.96 20.45 Favored 'Isoleucine or valine' 0 C--O 1.274 2.374 0 N-CA-C 121.15 3.759 . . . . 21.97 121.15 -175.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 104' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' R' ' 117' ' ' HOH . 16.2 mt -75.88 -52.75 9.66 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 107.731 -1.211 . . . . 22.59 107.731 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 105' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.26 1.611 0 CA-C-O 116.913 -1.518 . . . . 24.16 108.131 -179.562 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 1' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 . . . . . 0 C--O 1.267 1.996 1 CA-C-O 109.156 -5.212 . . . . 7.67 109.98 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 117' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' R' ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 131' ' ' HOH . . . . . 0.581 ' O ' ' CG ' ' R' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 132' ' ' HOH . . . . . 0.64 ' O ' ' OD1' ' R' ' 28' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 148' ' ' HOH . . . . . 0.691 ' O ' ' CA ' ' R' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 4' ' ' GLN . . . . . 0.496 ' HB3' ' CD2' ' R' ' 16' ' ' HIS . 41.9 mm-40 . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 109.295 -0.631 . . . . 25.170000000000002 109.295 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 5' ' ' SER . . . . . 0.453 ' HA ' ' HD3' ' R' ' 6' ' ' PRO . 0.2 OUTLIER -65.12 142.12 98.5 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 114.43 -1.259 . . . . 24.32 111.242 -179.194 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' R' R ' 6' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' R' ' 5' ' ' SER . 53.2 Cg_exo -64.42 3.14 0.9 Allowed 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.14 3.227 . . . . 23.780000000000001 112.771 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 7' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' R' ' 9' ' ' ALA . 44.8 t80 -157.95 96.52 1.48 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 104.477 -2.416 . . . . 24.309999999999999 104.477 178.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 42.1 m -87.38 116.19 25.3 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 110.803 -2.908 . . . . 25.41 106.801 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 9' ' ' ALA . . . . . 0.466 ' HB2' ' CE1' ' R' ' 7' ' ' TYR . . . -122.82 -88.99 0.61 Allowed 'General case' 0 C--O 1.255 1.367 0 N-CA-C 104.73 -2.322 . . . . 25.199999999999999 104.73 -179.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.28 -41.79 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.746 -2.025 . . . . 24.280000000000001 105.848 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mmt -75.76 -46.81 28.78 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 126.908 2.63 . . . . 23.989999999999998 108.75 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.18 -57.15 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.029 1.456 . . . . 20.43 110.747 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 13' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' R' ' 17' ' ' GLN . 7.0 tt0 -49.28 -44.87 44.29 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.069 1.748 . . . . 19.920000000000002 109.159 177.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . . . -59.83 -55.52 33.21 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 124.869 1.355 . . . . 16.579999999999998 110.85 -178.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -52.58 -41.08 63.29 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 114.957 -1.019 . . . . 15.619999999999999 109.885 175.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 16' ' ' HIS . . . . . 0.496 ' CD2' ' HB3' ' R' ' 4' ' ' GLN . 78.6 t60 -63.21 -43.11 99.04 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 124.52 1.137 . . . . 14.35 113.264 -179.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 17' ' ' GLN . . . . . 1.006 ' HG3' ' O ' ' R' ' 131' ' ' HOH . 27.7 mm100 -67.82 -37.42 81.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 125.228 1.411 . . . . 16.149999999999999 110.443 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.47 -33.92 76.63 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 125.675 1.859 . . . . 12.609999999999999 110.169 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -70.25 -40.18 74.57 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 125.296 1.623 . . . . 11.23 109.184 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.16 -35.47 79.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.977 2.048 . . . . 11.56 110.355 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 21' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' R' ' 129' ' ' HOH . 31.1 ttt180 -63.4 -31.96 73.26 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 125.144 1.528 . . . . 11.99 111.123 177.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.25 -45.53 63.01 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 125.248 1.419 . . . . 10.82 110.743 176.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.82 -50.77 78.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 124.265 1.026 . . . . 11.56 109.528 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . 0.357 38.7 t70 -60.63 -44.42 96.38 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 125.954 2.033 . . . . 14.289999999999999 111.821 177.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.59 -52.98 52.64 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.071 -0.715 . . . . 12.35 109.071 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 26' ' ' LEU . . . . . 0.455 HD12 HD23 ' R' ' 38' ' ' LEU . 20.0 tp -59.83 -45.76 91.4 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 113.496 -1.684 . . . . 12.640000000000001 112.294 -178.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -49.85 -47.01 51.94 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.422 1.076 . . . . 15.539999999999999 108.53 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 28' ' ' ASN . . . . . 0.778 ' ND2' ' O ' ' R' ' 132' ' ' HOH . 3.7 t-20 -63.14 -50.57 69.9 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.872 -1.967 . . . . 16.350000000000001 110.234 -178.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.36 40.53 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 125.503 1.752 . . . . 14.390000000000001 109.054 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.8 -49.48 76.49 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 125.985 2.053 . . . . 15.23 109.826 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.42 -23.36 49.02 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.854 1.346 . . . . 18.960000000000001 112.54 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -107.28 2.25 24.44 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 113.661 0.986 . . . . 16.82 113.661 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.18 34.87 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 125.907 2.005 . . . . 17.510000000000002 108.984 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 31.3 mt -119.37 16.64 13.04 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.781 1.301 . . . . 14.17 110.238 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -63.16 -48.17 79.56 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 125.142 1.526 . . . . 13.68 112.403 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 36' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' R' ' 37' ' ' PRO 0.378 9.2 mt -55.87 -61.44 6.37 Favored Pre-proline 0 C--O 1.245 0.864 0 O-C-N 125.137 1.523 . . . . 12.94 113.524 -176.08 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' R' R ' 37' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 30.0 Cg_endo -56.55 -35.53 97.01 Favored 'Trans proline' 0 C--O 1.252 1.207 0 C-N-CA 123.533 2.822 . . . . 11.34 113.977 175.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 38' ' ' LEU . . . . . 0.455 HD23 HD12 ' R' ' 26' ' ' LEU . 48.0 tp -62.21 -52.23 64.62 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 120.238 1.381 . . . . 9.75 113.046 176.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.04 -37.21 81.8 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 125.031 1.333 . . . . 9.0 110.053 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -62.84 -46.23 88.91 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.048 -1.464 . . . . 9.9900000000000002 107.048 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -61.36 -49.44 76.94 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 126.519 2.387 . . . . 8.4199999999999999 112.223 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 58.4 mmm -76.26 -20.36 57.46 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 117.055 2.243 . . . . 10.050000000000001 117.055 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 39.4 mt -120.69 148.63 43.68 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.906 1.076 . . . . 6.2999999999999998 113.906 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 44' ' ' THR . . . . . 0.446 ' OG1' ' HG3' ' R' ' 47' ' ' GLU . 39.6 p -81.57 157.05 70.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 124.602 1.189 . . . . 4.79 108.981 172.851 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -50.06 -45.83 31.14 Favored 'Trans proline' 0 C--O 1.256 1.421 0 C-N-CA 123.505 2.804 . . . . 4.9100000000000001 112.099 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . . . -66.02 -38.56 88.73 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 127.243 2.217 . . . . 5.6500000000000004 112.686 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 47' ' ' GLU . . . . . 0.446 ' HG3' ' OG1' ' R' ' 44' ' ' THR . 98.6 mt-10 -67.45 -39.78 85.37 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.24 0.962 . . . . 7.04 111.326 175.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.88 -51.91 62.39 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.264 1.03 . . . . 5.4500000000000002 108.978 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.22 -45.46 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.042 -0.981 . . . . 7.3600000000000003 111.123 173.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 50' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' R' ' 54' ' ' ARG 0.291 . . -64.6 -35.9 82.49 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 123.948 0.78 . . . . 5.9100000000000001 112.845 -179.287 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.38 -44.11 84.05 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 124.471 1.109 . . . . 6.6299999999999999 108.811 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.6 92.58 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 124.474 1.108 . . . . 6.9900000000000002 111.699 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 61.8 m -73.93 -44.98 53.24 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 124.918 1.01 . . . . 8.1899999999999995 112.18 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 54' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' R' ' 50' ' ' ALA . 98.1 mtt180 -55.71 -31.91 62.87 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 124.67 1.231 . . . . 7.6399999999999997 111.802 178.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.26 -46.23 96.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.711 -0.848 . . . . 8.0999999999999996 108.711 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -62.93 -45.5 92.17 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 124.968 1.417 . . . . 11.77 112.194 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 57' ' ' ILE . . . . . 0.434 ' O ' ' HG ' ' R' ' 61' ' ' LEU . 67.5 mt -60.85 -44.85 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.416 1.073 . . . . 7.8899999999999997 109.391 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 58' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.81 -48.96 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 125.842 1.964 . . . . 8.6699999999999999 107.013 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.45 -53.41 23.07 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 115.186 1.551 . . . . 13.76 115.186 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 60' ' ' GLU . . . . . 1.028 ' HG3' ' HE3' ' R' ' 66' ' ' MET . 55.9 mm-40 -76.04 -21.88 56.32 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 126.17 1.788 . . . . 11.640000000000001 114.618 -175.049 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 61' ' ' LEU . . . . . 0.897 HD21 HD12 ' R' ' 82' ' ' ILE . 30.9 mt -72.42 -41.43 66.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.84 -0.8 . . . . 8.8699999999999992 108.84 175.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -68.42 -41.59 80.16 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 124.649 1.218 . . . . 9.2400000000000002 110.296 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -61.37 -43.12 99.42 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.276 -1.329 . . . . 10.82 111.783 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.02 24.36 69.35 Favored Glycine 0 C--O 1.252 1.275 0 N-CA-C 118.302 2.081 . . . . 10.51 118.302 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -102.86 -47.9 4.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 125.823 1.649 . . . . 12.18 112.052 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 66' ' ' MET . . . . . 1.028 ' HE3' ' HG3' ' R' ' 60' ' ' GLU . 6.4 mtt -67.8 137.25 55.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.977 1.423 . . . . 14.58 109.623 -177.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 52.8 p -92.27 168.13 11.54 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 126.838 2.586 . . . . 14.09 108.272 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -44.01 -57.08 3.55 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 113.115 -1.857 . . . . 17.66 112.866 174.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.91 79.05 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 124.099 0.874 . . . . 17.170000000000002 110.315 -177.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.26 -49.62 71.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.775 1.297 . . . . 14.83 113.296 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 71' ' ' LEU . . . . . 0.53 HD13 HG13 ' R' ' 82' ' ' ILE . 21.5 mt -56.45 -47.49 79.05 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 125.599 1.559 . . . . 14.99 111.202 178.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 72' ' ' LYS . . . . . 0.41 ' HA ' ' N ' ' R' ' 77' ' ' ALA . 0.2 OUTLIER -65.94 -49.39 68.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.085 -1.416 . . . . 17.719999999999999 113.324 -177.235 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.94 -29.69 50.05 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 115.301 1.593 . . . . 17.940000000000001 115.301 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -99.75 -34.67 10.08 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 124.153 0.908 . . . . 19.010000000000002 113.16 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -112.6 -6.2 13.94 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 114.014 1.116 . . . . 20.109999999999999 114.014 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 76' ' ' GLY . . . . . 0.694 ' HA2' ' O ' ' R' ' 148' ' ' HOH . . . 78.32 27.05 58.42 Favored Glycine 0 C--O 1.258 1.642 0 C-N-CA 124.646 1.117 . . . . 20.16 115.425 -178.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 77' ' ' ALA . . . . . 0.418 ' HB1' HG12 ' R' ' 82' ' ' ILE . . . -108.66 105.18 14.67 Favored 'General case' 0 C--O 1.25 1.092 0 N-CA-C 116.878 2.177 . . . . 20.149999999999999 116.878 -176.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 78' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' R' ' 127' ' ' HOH . . . -95.6 168.81 26.81 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 109.848 -1.301 . . . . 20.629999999999999 109.848 178.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . 0.26 83.2 mt -29.14 -41.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.701 0 N-CA-C 116.982 2.216 . . . . 21.719999999999999 116.982 179.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -61.66 1.84 Allowed 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.643 0.777 . . . . 22.059999999999999 111.986 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -54.69 -45.67 73.99 Favored 'General case' 0 C--O 1.249 1.058 0 C-N-CA 125.167 1.387 . . . . 21.800000000000001 112.84 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 82' ' ' ILE . . . . . 0.897 HD12 HD21 ' R' ' 61' ' ' LEU . 1.4 mm -68.83 -22.1 26.29 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 126.024 2.077 . . . . 21.809999999999999 109.704 178.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 31.4 m -76.59 -46.88 24.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 126.75 2.531 . . . . 21.050000000000001 107.437 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -57.36 -50.11 74.01 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.607 0.763 . . . . 20.809999999999999 111.488 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.04 -42.86 99.94 Favored Glycine 0 C--N 1.31 -0.863 0 C-N-CA 125.149 1.357 . . . . 18.309999999999999 111.654 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 6.0 t -64.39 -59.71 4.04 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 115.835 1.791 . . . . 17.09 115.835 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . 0.253 1.6 m120 -64.29 -29.09 70.19 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.865 0.866 . . . . 16.399999999999999 108.938 -179.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.36 75.6 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.533 2.395 . . . . 14.039999999999999 109.614 179.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 89' ' ' LEU . . . . . 0.519 ' O ' ' HD2' ' R' ' 97' ' ' ARG . 0.9 OUTLIER -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.365 -1.743 . . . . 13.859999999999999 109.912 -178.609 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -65.93 -32.35 73.8 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 114.909 -1.041 . . . . 16.870000000000001 111.601 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.01 -19.48 57.19 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.169 1.174 . . . . 15.210000000000001 114.169 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.91 142.08 82.61 Favored Pre-proline 0 N--CA 1.484 1.241 0 N-CA-C 106.493 -1.669 . . . . 15.619999999999999 106.493 -177.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -62.98 151.95 81.92 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 O-C-N 126.747 2.972 . . . . 15.710000000000001 104.581 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 94' ' ' VAL . . . . . 0.419 HG22 ' O ' ' R' ' 94' ' ' VAL . 5.6 p -58.48 -24.25 24.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 115.107 1.521 . . . . 15.970000000000001 115.107 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -70.03 -36.61 75.18 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 117.76 -1.114 . . . . 17.48 109.176 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.19 -45.1 67.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 126.891 2.619 . . . . 16.079999999999998 108.77 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 97' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' R' ' 89' ' ' LEU 0.292 9.7 mtp180 -58.64 -42.1 87.53 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 117.525 -1.226 . . . . 17.969999999999999 109.944 179.474 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' R' R ' 98' ' ' GLN . . . . . 0.677 ' O ' ' HB2' ' R' ' 101' ' ' GLU 0.38 0.0 OUTLIER -63.96 -50.49 68.4 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 124.993 1.433 . . . . 19.739999999999998 110.246 176.417 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . 0.259 88.8 t90 -56.77 -47.08 80.94 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.476 1.511 . . . . 17.07 114.356 -179.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 62.8 mt -57.17 -39.29 75.02 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.592 1.183 . . . . 18.190000000000001 111.256 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 101' ' ' GLU . . . . . 0.677 ' HB2' ' O ' ' R' ' 98' ' ' GLN . 48.4 mm-40 -54.41 -55.8 25.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.876 1.27 . . . . 21.620000000000001 110.911 178.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.31 -50.52 73.33 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 112.427 -2.169 . . . . 23.239999999999998 110.156 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . 0.43 13.6 t -78.1 -49.96 20.45 Favored 'Isoleucine or valine' 0 C--O 1.274 2.374 0 N-CA-C 121.15 3.759 . . . . 21.969999999999999 121.15 -175.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 104' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' R' ' 117' ' ' HOH . 16.2 mt -75.88 -52.75 9.66 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 107.731 -1.211 . . . . 22.59 107.731 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 105' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' R' ' 101' ' ' GLU . 9.7 mt . . . . . 0 C--O 1.26 1.611 0 CA-C-O 116.913 -1.518 . . . . 24.16 108.131 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 1' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 . . . . . 0 C--O 1.267 1.996 1 CA-C-O 109.156 -5.212 . . . . 7.6699999999999999 109.98 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 117' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' R' ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 127' ' ' HOH . . . . . 0.429 ' O ' ' HA2' ' R' ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 129' ' ' HOH . . . . . 0.497 ' O ' ' HD3' ' R' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 131' ' ' HOH . . . . . 1.006 ' O ' ' HG3' ' R' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 132' ' ' HOH . . . . . 0.778 ' O ' ' ND2' ' R' ' 28' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 148' ' ' HOH . . . . . 0.694 ' O ' ' HA2' ' R' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 4' ' ' GLN . . . . . 0.552 ' HB3' ' CE1' ' R' ' 16' ' ' HIS . 41.9 mm-40 . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 109.295 -0.631 . . . . 25.17 109.295 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 5' ' ' SER . . . . . 0.453 ' HA ' ' HD3' ' R' ' 6' ' ' PRO . 0.2 OUTLIER -65.12 142.12 98.5 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 114.43 -1.259 . . . . 24.32 111.242 -179.194 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' R' R ' 6' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' R' ' 5' ' ' SER . 53.2 Cg_exo -64.42 3.14 0.9 Allowed 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.14 3.227 . . . . 23.78 112.771 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 7' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' R' ' 9' ' ' ALA . 44.8 t80 -157.95 96.52 1.48 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 104.477 -2.416 . . . . 24.31 104.477 178.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 8' ' ' SER . . . . . . . . . . . . . 42.1 m -87.38 116.19 25.3 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 110.803 -2.908 . . . . 25.41 106.801 -177.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 9' ' ' ALA . . . . . 0.466 ' HB2' ' CE1' ' R' ' 7' ' ' TYR . . . -122.82 -88.99 0.61 Allowed 'General case' 0 C--O 1.255 1.367 0 N-CA-C 104.73 -2.322 . . . . 25.2 104.73 -179.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.28 -41.79 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 112.746 -2.025 . . . . 24.28 105.848 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mmt -75.76 -46.81 28.78 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 126.908 2.63 . . . . 23.99 108.75 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.18 -57.15 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.029 1.456 . . . . 20.43 110.747 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 13' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' R' ' 17' ' ' GLN . 7.0 tt0 -49.28 -44.87 44.29 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.069 1.748 . . . . 19.92 109.159 177.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 14' ' ' GLN . . . . . . . . . . . . . . . -59.83 -55.52 33.21 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 124.869 1.355 . . . . 16.58 110.85 -178.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 15' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -52.58 -41.08 63.29 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 114.957 -1.019 . . . . 15.62 109.885 175.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 16' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' R' ' 4' ' ' GLN . 38.8 t-80 -63.21 -43.11 99.04 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 124.52 1.137 . . . . 14.35 113.264 -179.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 17' ' ' GLN . . . . . 1.006 ' HG3' ' O ' ' R' ' 131' ' ' HOH . 27.7 mm100 -67.82 -37.42 81.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 125.228 1.411 . . . . 16.15 110.443 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 18' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.47 -33.92 76.63 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 125.675 1.859 . . . . 12.61 110.169 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 19' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -70.25 -40.18 74.57 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 125.296 1.623 . . . . 11.23 109.184 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 20' ' ' LEU . . . . . 0.455 HD11 ' CE1' ' R' ' 16' ' ' HIS . 37.9 mt -67.16 -35.47 79.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.977 2.048 . . . . 11.56 110.355 -179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 21' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' R' ' 129' ' ' HOH . 31.1 ttt180 -63.4 -31.96 73.26 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 125.144 1.528 . . . . 11.99 111.123 177.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 22' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.25 -45.53 63.01 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 125.248 1.419 . . . . 10.82 110.743 176.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 23' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.82 -50.77 78.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 124.265 1.026 . . . . 11.56 109.528 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 24' ' ' ASP . . . . . . . . . . . . 0.357 38.7 t70 -60.63 -44.42 96.38 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 125.954 2.033 . . . . 14.29 111.821 177.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.59 -52.98 52.64 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.071 -0.715 . . . . 12.35 109.071 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 26' ' ' LEU . . . . . 0.455 HD12 HD23 ' R' ' 38' ' ' LEU . 20.0 tp -59.83 -45.76 91.4 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 113.496 -1.684 . . . . 12.64 112.294 -178.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -49.85 -47.01 51.94 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.422 1.076 . . . . 15.54 108.53 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 28' ' ' ASN . . . . . 0.64 ' OD1' ' O ' ' R' ' 132' ' ' HOH . 12.5 t30 -63.14 -50.57 69.9 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 112.872 -1.967 . . . . 16.35 110.234 -178.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.36 40.53 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 125.503 1.752 . . . . 14.39 109.054 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.8 -49.48 76.49 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 125.985 2.053 . . . . 15.23 109.826 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.42 -23.36 49.02 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.854 1.346 . . . . 18.96 112.54 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -107.28 2.25 24.44 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 113.661 0.986 . . . . 16.82 113.661 -178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.18 34.87 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 125.907 2.005 . . . . 17.51 108.984 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 31.3 mt -119.37 16.64 13.04 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.781 1.301 . . . . 14.17 110.238 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 35' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -63.16 -48.17 79.56 Favored 'General case' 0 C--O 1.255 1.352 0 O-C-N 125.142 1.526 . . . . 13.68 112.403 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 36' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' R' ' 37' ' ' PRO 0.378 9.2 mt -55.87 -61.44 6.37 Favored Pre-proline 0 C--O 1.245 0.864 0 O-C-N 125.137 1.523 . . . . 12.94 113.524 -176.08 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' R' R ' 37' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' R' ' 36' ' ' LEU . 30.0 Cg_endo -56.55 -35.53 97.01 Favored 'Trans proline' 0 C--O 1.252 1.207 0 C-N-CA 123.533 2.822 . . . . 11.34 113.977 175.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 38' ' ' LEU . . . . . 0.455 HD23 HD12 ' R' ' 26' ' ' LEU . 48.0 tp -62.21 -52.23 64.62 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 120.238 1.381 . . . . 9.75 113.046 176.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.04 -37.21 81.8 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 125.031 1.333 . . . . 9.0 110.053 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.84 -46.23 88.91 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.048 -1.464 . . . . 9.99 107.048 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 32.6 tp -61.36 -49.44 76.94 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 126.519 2.387 . . . . 8.42 112.223 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 42' ' ' MET . . . . . . . . . . . . . 58.4 mmm -76.26 -20.36 57.46 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 117.055 2.243 . . . . 10.05 117.055 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 43' ' ' LEU . . . . . . . . . . . . . 39.4 mt -120.69 148.63 43.68 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 113.906 1.076 . . . . 6.3 113.906 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 44' ' ' THR . . . . . 0.446 ' OG1' ' HG3' ' R' ' 47' ' ' GLU . 39.6 p -81.57 157.05 70.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 O-C-N 124.602 1.189 . . . . 4.79 108.981 172.851 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 45' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -50.06 -45.83 31.14 Favored 'Trans proline' 0 C--O 1.256 1.421 0 C-N-CA 123.505 2.804 . . . . 4.91 112.099 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 46' ' ' ASP . . . . . . . . . . . . . . . -66.02 -38.56 88.73 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 127.243 2.217 . . . . 5.65 112.686 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 47' ' ' GLU . . . . . 0.446 ' HG3' ' OG1' ' R' ' 44' ' ' THR . 98.6 mt-10 -67.45 -39.78 85.37 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.24 0.962 . . . . 7.04 111.326 175.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.88 -51.91 62.39 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.264 1.03 . . . . 5.45 108.978 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 49' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -51.22 -45.46 61.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.042 -0.981 . . . . 7.36 111.123 173.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 50' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' R' ' 54' ' ' ARG 0.291 . . -64.6 -35.9 82.49 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 123.948 0.78 . . . . 5.91 112.845 -179.287 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' R' R ' 51' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.38 -44.11 84.05 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 124.471 1.109 . . . . 6.63 108.811 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.6 92.58 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 124.474 1.108 . . . . 6.99 111.699 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 53' ' ' THR . . . . . . . . . . . . . 61.8 m -73.93 -44.98 53.24 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 124.918 1.01 . . . . 8.19 112.18 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 54' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' R' ' 50' ' ' ALA . 98.1 mtt180 -55.71 -31.91 62.87 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 124.67 1.231 . . . . 7.64 111.802 178.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 55' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.26 -46.23 96.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.711 -0.848 . . . . 8.1 108.711 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 56' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -62.93 -45.5 92.17 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 124.968 1.417 . . . . 11.77 112.194 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 57' ' ' ILE . . . . . 0.434 ' O ' ' HG ' ' R' ' 61' ' ' LEU . 67.5 mt -60.85 -44.85 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.416 1.073 . . . . 7.89 109.391 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 58' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.81 -48.96 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 125.842 1.964 . . . . 8.67 107.013 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.45 -53.41 23.07 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 115.186 1.551 . . . . 13.76 115.186 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 60' ' ' GLU . . . . . 1.028 ' HG3' ' HE3' ' R' ' 66' ' ' MET . 55.9 mm-40 -76.04 -21.88 56.32 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 126.17 1.788 . . . . 11.64 114.618 -175.049 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 61' ' ' LEU . . . . . 0.897 HD21 HD12 ' R' ' 82' ' ' ILE . 30.9 mt -72.42 -41.43 66.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.84 -0.8 . . . . 8.87 108.84 175.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -68.42 -41.59 80.16 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 124.649 1.218 . . . . 9.24 110.296 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -61.37 -43.12 99.42 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.276 -1.329 . . . . 10.82 111.783 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.02 24.36 69.35 Favored Glycine 0 C--O 1.252 1.275 0 N-CA-C 118.302 2.081 . . . . 10.51 118.302 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 65' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -102.86 -47.9 4.24 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 125.823 1.649 . . . . 12.18 112.052 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 66' ' ' MET . . . . . 1.028 ' HE3' ' HG3' ' R' ' 60' ' ' GLU . 6.4 mtt -67.8 137.25 55.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.977 1.423 . . . . 14.58 109.623 -177.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 67' ' ' SER . . . . . . . . . . . . . 52.8 p -92.27 168.13 11.54 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 126.838 2.586 . . . . 14.09 108.272 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 68' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -44.01 -57.08 3.55 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 113.115 -1.857 . . . . 17.66 112.866 174.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -34.91 79.05 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 124.099 0.874 . . . . 17.17 110.315 -177.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.26 -49.62 71.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.775 1.297 . . . . 14.83 113.296 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 71' ' ' LEU . . . . . 0.53 HD13 HG13 ' R' ' 82' ' ' ILE . 21.5 mt -56.45 -47.49 79.05 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 125.599 1.559 . . . . 14.99 111.202 178.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 72' ' ' LYS . . . . . 0.41 ' HA ' ' N ' ' R' ' 77' ' ' ALA . 0.2 OUTLIER -65.94 -49.39 68.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.085 -1.416 . . . . 17.72 113.324 -177.235 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' R' R ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.94 -29.69 50.05 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 115.301 1.593 . . . . 17.94 115.301 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 74' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -99.75 -34.67 10.08 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 124.153 0.908 . . . . 19.01 113.16 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -112.6 -6.2 13.94 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 114.014 1.116 . . . . 20.11 114.014 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 76' ' ' GLY . . . . . 0.694 ' HA2' ' O ' ' R' ' 148' ' ' HOH . . . 78.32 27.05 58.42 Favored Glycine 0 C--O 1.258 1.642 0 C-N-CA 124.646 1.117 . . . . 20.16 115.425 -178.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 77' ' ' ALA . . . . . 0.418 ' HB1' HG12 ' R' ' 82' ' ' ILE . . . -108.66 105.18 14.67 Favored 'General case' 0 C--O 1.25 1.092 0 N-CA-C 116.878 2.177 . . . . 20.15 116.878 -176.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 78' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' R' ' 127' ' ' HOH . . . -95.6 168.81 26.81 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 109.848 -1.301 . . . . 20.63 109.848 178.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 79' ' ' ILE . . . . . . . . . . . . 0.26 83.2 mt -29.14 -41.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.701 0 N-CA-C 116.982 2.216 . . . . 21.72 116.982 179.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -61.66 1.84 Allowed 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.643 0.777 . . . . 22.06 111.986 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 81' ' ' THR . . . . . . . . . . . . . 94.1 m -54.69 -45.67 73.99 Favored 'General case' 0 C--O 1.249 1.058 0 C-N-CA 125.167 1.387 . . . . 21.8 112.84 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 82' ' ' ILE . . . . . 0.897 HD12 HD21 ' R' ' 61' ' ' LEU . 1.4 mm -68.83 -22.1 26.29 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 126.024 2.077 . . . . 21.81 109.704 178.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 83' ' ' THR . . . . . . . . . . . . . 31.4 m -76.59 -46.88 24.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 126.75 2.531 . . . . 21.05 107.437 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -57.36 -50.11 74.01 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.607 0.763 . . . . 20.81 111.488 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.04 -42.86 99.94 Favored Glycine 0 C--N 1.31 -0.863 0 C-N-CA 125.149 1.357 . . . . 18.31 111.654 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 86' ' ' SER . . . . . . . . . . . . . 6.0 t -64.39 -59.71 4.04 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 115.835 1.791 . . . . 17.09 115.835 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 87' ' ' ASN . . . . . . . . . . . . 0.253 1.6 m120 -64.29 -29.09 70.19 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.865 0.866 . . . . 16.4 108.938 -179.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -33.36 75.6 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.533 2.395 . . . . 14.04 109.614 179.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 89' ' ' LEU . . . . . 0.519 ' O ' ' HD2' ' R' ' 97' ' ' ARG . 0.9 OUTLIER -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 113.365 -1.743 . . . . 13.86 109.912 -178.609 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' R' R ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -65.93 -32.35 73.8 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 114.909 -1.041 . . . . 16.87 111.601 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.01 -19.48 57.19 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.169 1.174 . . . . 15.21 114.169 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.91 142.08 82.61 Favored Pre-proline 0 N--CA 1.484 1.241 0 N-CA-C 106.493 -1.669 . . . . 15.62 106.493 -177.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 93' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -62.98 151.95 81.92 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 O-C-N 126.747 2.972 . . . . 15.71 104.581 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 94' ' ' VAL . . . . . 0.419 ' O ' HG22 ' R' ' 94' ' ' VAL . 5.6 p -58.48 -24.25 24.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 115.107 1.521 . . . . 15.97 115.107 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -70.03 -36.61 75.18 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 117.76 -1.114 . . . . 17.48 109.176 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 96' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.19 -45.1 67.35 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 126.891 2.619 . . . . 16.08 108.77 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 97' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' R' ' 89' ' ' LEU 0.292 9.7 mtp180 -58.64 -42.1 87.53 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 117.525 -1.226 . . . . 17.97 109.944 179.474 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' R' R ' 98' ' ' GLN . . . . . 0.677 ' O ' ' HB2' ' R' ' 101' ' ' GLU 0.38 0.0 OUTLIER -63.96 -50.49 68.4 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 124.993 1.433 . . . . 19.74 110.246 176.417 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' R' R ' 99' ' ' TRP . . . . . . . . . . . . 0.259 88.8 t90 -56.77 -47.08 80.94 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.476 1.511 . . . . 17.07 114.356 -179.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 100' ' ' LEU . . . . . . . . . . . . . 62.8 mt -57.17 -39.29 75.02 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.592 1.183 . . . . 18.19 111.256 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 101' ' ' GLU . . . . . 0.677 ' HB2' ' O ' ' R' ' 98' ' ' GLN . 48.4 mm-40 -54.41 -55.8 25.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.876 1.27 . . . . 21.62 110.911 178.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 102' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.31 -50.52 73.33 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 112.427 -2.169 . . . . 23.24 110.156 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 103' ' ' VAL . . . . . . . . . . . . 0.43 13.6 t -78.1 -49.96 20.45 Favored 'Isoleucine or valine' 0 C--O 1.274 2.374 0 N-CA-C 121.15 3.759 . . . . 21.97 121.15 -175.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 104' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' R' ' 117' ' ' HOH . 16.2 mt -75.88 -52.75 9.66 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 107.731 -1.211 . . . . 22.59 107.731 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 105' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' R' ' 101' ' ' GLU . 9.7 mt . . . . . 0 C--O 1.26 1.611 0 CA-C-O 116.913 -1.518 . . . . 24.16 108.131 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 1' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 . . . . . 0 C--O 1.267 1.996 1 CA-C-O 109.156 -5.212 . . . . 7.67 109.98 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 117' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' R' ' 104' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 127' ' ' HOH . . . . . 0.429 ' O ' ' HA2' ' R' ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 129' ' ' HOH . . . . . 0.497 ' O ' ' HD3' ' R' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 131' ' ' HOH . . . . . 1.006 ' O ' ' HG3' ' R' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 132' ' ' HOH . . . . . 0.64 ' O ' ' OD1' ' R' ' 28' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 148' ' ' HOH . . . . . 0.694 ' O ' ' HA2' ' R' ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_