data_1dfn_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 1dfn _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--O 1.253 1.272 0 N-CA-C 102.074 -3.306 . . . . 33.0 102.074 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.6 147.98 35.55 Favored 'General case' 0 CA--C 1.555 1.171 0 O-C-N 127.532 3.02 . . . . 24.53 106.034 179.684 -66.201 -97.367 104.476 113.084 1.966 104.675 -90.426 -50.987 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . 0.308 96.3 m-85 -134.06 157.89 44.98 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 113.821 -2.99 . . . . 26.96 111.822 -179.565 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.5 m -99.95 123.01 43.73 Favored 'General case' 0 N--CA 1.494 1.75 1 O-C-N 132.071 5.857 . . . . 12.5 102.209 174.487 -75.682 -74.381 -87.069 109.956 1.967 99.554 -168.031 -40.708 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -133.42 149.98 51.78 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 123.81 1.767 . . . . 13.34 114.736 -175.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -136.14 134.88 20.47 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 102.073 -3.306 . . . . 12.33 102.073 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 -11.55 41.0 Favored 'Cis proline' 0 C--N 1.302 -1.895 0 N-CA-C 115.356 1.252 . . . . 14.43 115.356 2.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.07 173.18 13.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 124.165 1.936 . . . . 14.27 111.482 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.5 m -71.69 152.25 42.97 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-N 112.092 -2.322 . . . . 16.03 106.718 178.835 -60.074 -51.685 -81.213 107.895 1.932 106.203 -81.084 -58.259 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.59 179.73 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 119.825 -0.75 . . . . 20.34 111.113 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.64 131.89 44.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.284 0.947 . . . . 19.96 110.977 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.24 8.87 74.15 Favored Glycine 0 C--O 1.268 2.233 0 C-N-CA 118.019 -2.039 . . . . 20.19 116.656 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -125.11 158.37 34.03 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.583 1.553 . . . . 17.37 110.149 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . . . -130.19 150.2 51.55 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 102.37 -3.196 . . . . 13.31 102.37 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -82.72 129.94 35.05 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 121.453 1.933 . . . . 18.95 109.465 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' PHE . 62.4 m-85 -116.05 -6.82 11.95 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 116.623 -1.656 . . . . 19.86 111.802 -178.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.83 -157.71 20.56 Favored Glycine 0 N--CA 1.48 1.577 0 N-CA-C 106.482 -2.647 . . . . 14.26 106.482 -178.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.6 m -130.33 146.9 51.98 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 126.563 1.945 . . . . 12.78 114.483 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 m -117.67 152.84 34.4 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 106.268 -1.752 . . . . 10.77 106.268 176.025 -40.708 -168.031 -87.069 99.554 1.967 109.956 -74.381 -75.682 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -116.89 123.2 71.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 101.285 -3.598 . . . . 13.76 101.285 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -165.16 134.18 3.42 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.333 -1.358 . . . . 10.46 107.333 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 53.99 41.8 31.89 Favored 'General case' 0 C--N 1.302 -1.485 1 O-C-N 129.519 4.262 . . . . 22.8 114.726 -179.426 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.29 20.52 69.45 Favored Glycine 0 C--N 1.296 -1.675 1 CA-C-O 112.704 -4.387 . . . . 15.29 111.114 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 164.91 24.79 Favored 'General case' 0 C--N 1.3 -1.574 1 CA-C-N 124.687 4.243 . . . . 27.07 110.247 -178.218 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.9 mt -95.29 136.61 35.43 Favored 'General case' 0 C--O 1.28 2.688 1 O-C-N 132.219 5.95 . . . . 13.71 108.812 177.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.2 m95 -127.54 152.54 47.48 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 125.458 1.503 . . . . 10.42 107.385 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 138.11 35.89 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 104.904 -2.258 . . . . 9.11 104.904 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' TYR . 47.0 t80 -95.2 120.8 36.04 Favored 'General case' 0 C--O 1.263 1.772 0 N-CA-C 100.79 -3.782 . . . . 12.74 100.79 175.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.307 69.0 m -123.33 140.33 53.13 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 116.055 -1.926 . . . . 10.88 113.599 -175.494 -58.259 -81.084 -81.213 106.203 1.932 107.895 -51.685 -60.074 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.315 -0.897 0 O-C-N 128.051 3.344 . . . . 16.51 110.523 179.667 -50.987 -90.426 104.476 104.675 1.966 113.084 -97.367 -66.201 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.278 2.576 0 N-CA-C 104.345 -2.465 . . . . 19.56 104.345 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . 0.438 ' CB ' ' CZ ' ' B' ' 29' ' ' PHE . 60.2 m -101.86 140.14 36.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 128.643 3.714 . . . . 18.01 113.057 -178.556 -55.643 -98.236 109.664 108.308 2.011 106.661 -93.073 -50.805 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.97 148.07 46.7 Favored 'General case' 0 C--O 1.198 -1.615 1 O-C-N 129.207 4.067 . . . . 28.92 114.11 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 93.9 m -81.76 128.39 33.95 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 104.464 -2.421 . . . . 16.7 104.464 176.055 -68.687 -70.825 -97.569 108.054 1.979 101.339 -167.756 -38.97 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' B' ' 28' ' ' ALA . 23.0 mmt180 -132.78 147.52 52.31 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 125.483 1.739 . . . . 24.17 113.918 -176.683 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.417 0.0 OUTLIER -131.94 137.2 29.68 Favored Pre-proline 0 C--O 1.255 1.394 0 CA-C-N 111.307 -2.679 . . . . 26.26 107.008 178.106 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -82.66 -16.07 31.08 Favored 'Cis proline' 0 N--CA 1.449 -1.093 0 CA-C-O 122.235 0.848 . . . . 20.71 112.168 -0.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.75 178.21 10.35 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 108.083 -1.08 . . . . 18.32 108.083 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.43 141.64 58.45 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 127.096 2.748 . . . . 20.07 111.444 179.909 -60.813 -45.264 -87.599 106.611 1.961 105.424 -80.078 -57.952 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.36 5.1 mt -71.09 162.94 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 111.023 -2.808 . . . . 24.12 107.647 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 131.36 50.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 117.588 -3.195 . . . . 24.15 111.711 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.26 15.93 73.03 Favored Glycine 0 C--O 1.289 3.551 1 O-C-N 129.941 4.525 . . . . 26.82 116.391 179.919 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -125.35 159.9 30.65 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 103.814 -2.662 . . . . 23.62 103.814 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . . . -130.86 151.69 51.01 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 126.603 2.439 . . . . 17.96 104.95 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -86.51 116.39 24.62 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.371 -2.728 . . . . 26.43 109.272 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -116.39 -3.8 11.88 Favored 'General case' 0 C--O 1.269 2.097 1 O-C-N 129.627 4.329 . . . . 14.32 111.172 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.65 -162.56 26.4 Favored Glycine 0 N--CA 1.444 -0.832 0 O-C-N 119.842 -1.786 . . . . 12.92 113.109 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -140.22 143.05 35.81 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 124.886 0.992 . . . . 13.08 111.378 -177.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 m -113.07 127.83 56.32 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 127.559 3.037 . . . . 12.53 104.669 175.414 -38.97 -167.756 -97.569 101.339 1.979 108.054 -70.825 -68.687 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 64.5 mt -108.15 121.76 61.61 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 124.872 1.358 . . . . 12.93 107.479 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -142.78 124.65 15.13 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 106.945 -1.502 . . . . 16.21 106.945 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 40.32 56.22 2.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.239 1.57 . . . . 21.87 115.239 177.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.66 -5.53 22.63 Favored Glycine 0 C--N 1.295 -1.718 0 N-CA-C 117.041 1.576 . . . . 20.23 117.041 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -98.61 147.11 25.14 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.191 -1.182 . . . . 33.57 109.473 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -112.89 118.56 35.24 Favored 'General case' 0 C--O 1.248 1.025 0 O-C-N 126.58 2.425 . . . . 19.19 109.081 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -105.99 153.04 22.57 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 126.984 2.114 . . . . 23.03 109.512 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' B' ' 6' ' ' ARG . . . -74.43 134.82 42.34 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 126.247 1.819 . . . . 12.86 107.052 177.023 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' B' ' 3' ' ' CYS . 29.9 t80 -101.46 111.02 23.13 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 100.286 -3.968 . . . . 12.24 100.286 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . 0.284 67.2 m -116.18 134.86 54.46 Favored 'General case' 0 C--N 1.273 -2.75 0 C-N-CA 128.151 2.58 . . . . 13.0 115.983 -174.883 -57.952 -80.078 -87.599 105.424 1.961 106.611 -45.264 -60.813 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.488 1.462 1 O-C-N 131.234 5.334 . . . . 16.76 109.568 179.192 -50.805 -93.073 109.664 106.661 2.011 108.308 -98.236 -55.643 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--O 1.253 1.272 0 N-CA-C 102.074 -3.306 . . . . 33.0 102.074 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.6 147.98 35.55 Favored 'General case' 0 CA--C 1.555 1.171 0 O-C-N 127.532 3.02 . . . . 24.53 106.034 179.684 -66.201 -97.367 104.476 113.084 1.966 104.675 -90.426 -50.987 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . 0.308 96.3 m-85 -134.06 157.89 44.98 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 113.821 -2.99 . . . . 26.96 111.822 -179.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.5 m -99.95 123.01 43.73 Favored 'General case' 0 N--CA 1.494 1.75 1 O-C-N 132.071 5.857 . . . . 12.5 102.209 174.487 -75.682 -74.381 -87.069 109.956 1.967 99.554 -168.031 -40.708 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -133.42 149.98 51.78 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 123.81 1.767 . . . . 13.34 114.736 -175.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -136.14 134.88 20.47 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 102.073 -3.306 . . . . 12.33 102.073 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 -11.55 41.0 Favored 'Cis proline' 0 C--N 1.302 -1.895 0 N-CA-C 115.356 1.252 . . . . 14.43 115.356 2.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.07 173.18 13.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 124.165 1.936 . . . . 14.27 111.482 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.5 m -71.69 152.25 42.97 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-N 112.092 -2.322 . . . . 16.03 106.718 178.835 -60.074 -51.685 -81.213 107.895 1.932 106.203 -81.084 -58.259 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.59 179.73 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 119.825 -0.75 . . . . 20.34 111.113 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.64 131.89 44.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.284 0.947 . . . . 19.96 110.977 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.24 8.87 74.15 Favored Glycine 0 C--O 1.268 2.233 0 C-N-CA 118.019 -2.039 . . . . 20.19 116.656 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -125.11 158.37 34.03 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.583 1.553 . . . . 17.37 110.149 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . . . -130.19 150.2 51.55 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 102.37 -3.196 . . . . 13.31 102.37 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -82.72 129.94 35.05 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 121.453 1.933 . . . . 18.95 109.465 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 31' ' ' CYS . 62.4 m-85 -116.05 -6.82 11.95 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 116.623 -1.656 . . . . 19.86 111.802 -178.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.83 -157.71 20.56 Favored Glycine 0 N--CA 1.48 1.577 0 N-CA-C 106.482 -2.647 . . . . 14.26 106.482 -178.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.6 m -130.33 146.9 51.98 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 126.563 1.945 . . . . 12.78 114.483 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 m -117.67 152.84 34.4 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 106.268 -1.752 . . . . 10.77 106.268 176.025 -40.708 -168.031 -87.069 99.554 1.967 109.956 -74.381 -75.682 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -116.89 123.2 71.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 101.285 -3.598 . . . . 13.76 101.285 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -165.16 134.18 3.42 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.333 -1.358 . . . . 10.46 107.333 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 53.99 41.8 31.89 Favored 'General case' 0 C--N 1.302 -1.485 1 O-C-N 129.519 4.262 . . . . 22.8 114.726 -179.426 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.29 20.52 69.45 Favored Glycine 0 C--N 1.296 -1.675 1 CA-C-O 112.704 -4.387 . . . . 15.29 111.114 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.55 164.91 24.79 Favored 'General case' 0 C--N 1.3 -1.574 1 CA-C-N 124.687 4.243 . . . . 27.07 110.247 -178.218 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.9 mt -95.29 136.61 35.43 Favored 'General case' 0 C--O 1.28 2.688 1 O-C-N 132.219 5.95 . . . . 13.71 108.812 177.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.2 m95 -127.54 152.54 47.48 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 125.458 1.503 . . . . 10.42 107.385 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 138.11 35.89 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 104.904 -2.258 . . . . 9.11 104.904 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -95.2 120.8 36.04 Favored 'General case' 0 C--O 1.263 1.772 0 N-CA-C 100.79 -3.782 . . . . 12.74 100.79 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.307 69.0 m -123.33 140.33 53.13 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 116.055 -1.926 . . . . 10.88 113.599 -175.494 -58.259 -81.084 -81.213 106.203 1.932 107.895 -51.685 -60.074 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 34.4 m . . . . . 0 C--N 1.315 -0.897 0 O-C-N 128.051 3.344 . . . . 16.51 110.523 179.667 -50.987 -90.426 104.476 104.675 1.966 113.084 -97.367 -66.201 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.278 2.576 0 N-CA-C 104.345 -2.465 . . . . 19.56 104.345 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . 0.438 ' CB ' ' CZ ' ' B' ' 29' ' ' PHE . 60.2 m -101.86 140.14 36.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 128.643 3.714 . . . . 18.01 113.057 -178.556 -55.643 -98.236 109.664 108.308 2.011 106.661 -93.073 -50.805 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.97 148.07 46.7 Favored 'General case' 0 C--O 1.198 -1.615 1 O-C-N 129.207 4.067 . . . . 28.92 114.11 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' B' ' 28' ' ' ALA . 93.9 m -81.76 128.39 33.95 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 104.464 -2.421 . . . . 16.7 104.464 176.055 -68.687 -70.825 -97.569 108.054 1.979 101.339 -167.756 -38.97 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -132.78 147.52 52.31 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 125.483 1.739 . . . . 24.17 113.918 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' B' ' 8' ' ' PRO 0.417 0.0 OUTLIER -131.94 137.2 29.68 Favored Pre-proline 0 C--O 1.255 1.394 0 CA-C-N 111.307 -2.679 . . . . 26.26 107.008 178.106 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' B' ' 7' ' ' ILE . 95.5 Cg_endo -82.66 -16.07 31.08 Favored 'Cis proline' 0 N--CA 1.449 -1.093 0 CA-C-O 122.235 0.848 . . . . 20.71 112.168 -0.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.75 178.21 10.35 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 108.083 -1.08 . . . . 18.32 108.083 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.43 141.64 58.45 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 127.096 2.748 . . . . 20.07 111.444 179.909 -60.813 -45.264 -87.599 106.611 1.961 105.424 -80.078 -57.952 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.36 5.1 mt -71.09 162.94 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 111.023 -2.808 . . . . 24.12 107.647 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 131.36 50.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 117.588 -3.195 . . . . 24.15 111.711 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.26 15.93 73.03 Favored Glycine 0 C--O 1.289 3.551 1 O-C-N 129.941 4.525 . . . . 26.82 116.391 179.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -125.35 159.9 30.65 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 103.814 -2.662 . . . . 23.62 103.814 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . . . -130.86 151.69 51.01 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 126.603 2.439 . . . . 17.96 104.95 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -86.51 116.39 24.62 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.371 -2.728 . . . . 26.43 109.272 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -116.39 -3.8 11.88 Favored 'General case' 0 C--O 1.269 2.097 1 O-C-N 129.627 4.329 . . . . 14.32 111.172 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.65 -162.56 26.4 Favored Glycine 0 N--CA 1.444 -0.832 0 O-C-N 119.842 -1.786 . . . . 12.92 113.109 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -140.22 143.05 35.81 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 124.886 0.992 . . . . 13.08 111.378 -177.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 m -113.07 127.83 56.32 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 127.559 3.037 . . . . 12.53 104.669 175.414 -38.97 -167.756 -97.569 101.339 1.979 108.054 -70.825 -68.687 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ILE . . . . . 0.559 HG12 HD23 ' B' ' 26' ' ' LEU . 64.5 mt -108.15 121.76 61.61 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 124.872 1.358 . . . . 12.93 107.479 -177.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -142.78 124.65 15.13 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 106.945 -1.502 . . . . 16.21 106.945 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 40.32 56.22 2.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.239 1.57 . . . . 21.87 115.239 177.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.66 -5.53 22.63 Favored Glycine 0 C--N 1.295 -1.718 0 N-CA-C 117.041 1.576 . . . . 20.23 117.041 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -98.61 147.11 25.14 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.191 -1.182 . . . . 33.57 109.473 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 0.559 HD23 HG12 ' B' ' 21' ' ' ILE . 89.8 mt -112.89 118.56 35.24 Favored 'General case' 0 C--O 1.248 1.025 0 O-C-N 126.58 2.425 . . . . 19.19 109.081 177.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -105.99 153.04 22.57 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 126.984 2.114 . . . . 23.03 109.512 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' B' ' 5' ' ' CYS . . . -74.43 134.82 42.34 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 126.247 1.819 . . . . 12.86 107.052 177.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' B' ' 3' ' ' CYS . 29.9 t80 -101.46 111.02 23.13 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 100.286 -3.968 . . . . 12.24 100.286 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . 0.284 67.2 m -116.18 134.86 54.46 Favored 'General case' 0 C--N 1.273 -2.75 0 C-N-CA 128.151 2.58 . . . . 13.0 115.983 -174.883 -57.952 -80.078 -87.599 105.424 1.961 106.611 -45.264 -60.813 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.488 1.462 1 O-C-N 131.234 5.334 . . . . 16.76 109.568 179.192 -50.805 -93.073 109.664 106.661 2.011 108.308 -98.236 -55.643 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--O 1.253 1.272 0 N-CA-C 102.074 -3.306 . . . . 33.0 102.074 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.4 m -112.6 147.98 35.55 Favored 'General case' 0 CA--C 1.555 1.171 0 O-C-N 127.532 3.02 . . . . 24.53 106.034 179.684 -66.201 -97.367 104.476 113.084 1.966 104.675 -90.426 -50.987 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . 0.308 96.3 m-85 -134.06 157.89 44.98 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 113.821 -2.99 . . . . 26.96 111.822 -179.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 54.5 m -99.95 123.01 43.73 Favored 'General case' 0 N--CA 1.494 1.75 1 O-C-N 132.071 5.857 . . . . 12.5 102.209 174.487 -75.682 -74.381 -87.069 109.956 1.967 99.554 -168.031 -40.708 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -133.42 149.98 51.78 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 123.81 1.767 . . . . 13.34 114.736 -175.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -136.14 134.88 20.47 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 102.073 -3.306 . . . . 12.33 102.073 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 -11.55 41.0 Favored 'Cis proline' 0 C--N 1.302 -1.895 0 N-CA-C 115.356 1.252 . . . . 14.43 115.356 2.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.07 173.18 13.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 124.165 1.936 . . . . 14.27 111.482 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.5 m -71.69 152.25 42.97 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-N 112.092 -2.322 . . . . 16.03 106.718 178.835 -60.074 -51.685 -81.213 107.895 1.932 106.203 -81.084 -58.259 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.59 179.73 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 119.825 -0.75 . . . . 20.34 111.113 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.64 131.89 44.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.284 0.947 . . . . 19.96 110.977 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.24 8.87 74.15 Favored Glycine 0 C--O 1.268 2.233 0 C-N-CA 118.019 -2.039 . . . . 20.19 116.656 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -125.11 158.37 34.03 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.583 1.553 . . . . 17.37 110.149 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . . . -130.19 150.2 51.55 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 102.37 -3.196 . . . . 13.31 102.37 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -82.72 129.94 35.05 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 121.453 1.933 . . . . 18.95 109.465 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 31' ' ' CYS . 62.4 m-85 -116.05 -6.82 11.95 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 116.623 -1.656 . . . . 19.86 111.802 -178.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.83 -157.71 20.56 Favored Glycine 0 N--CA 1.48 1.577 0 N-CA-C 106.482 -2.647 . . . . 14.26 106.482 -178.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.6 m -130.33 146.9 51.98 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 126.563 1.945 . . . . 12.78 114.483 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 m -117.67 152.84 34.4 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 106.268 -1.752 . . . . 10.77 106.268 176.025 -40.708 -168.031 -87.069 99.554 1.967 109.956 -74.381 -75.682 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -116.89 123.2 71.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 101.285 -3.598 . . . . 13.76 101.285 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -165.16 134.18 3.42 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.333 -1.358 . . . . 10.46 107.333 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 53.99 41.8 31.89 Favored 'General case' 0 C--N 1.302 -1.485 1 O-C-N 129.519 4.262 . . . . 22.8 114.726 -179.426 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.29 20.52 69.45 Favored Glycine 0 C--N 1.296 -1.675 1 CA-C-O 112.704 -4.387 . . . . 15.29 111.114 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.55 164.91 24.79 Favored 'General case' 0 C--N 1.3 -1.574 1 CA-C-N 124.687 4.243 . . . . 27.07 110.247 -178.218 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.9 mt -95.29 136.61 35.43 Favored 'General case' 0 C--O 1.28 2.688 1 O-C-N 132.219 5.95 . . . . 13.71 108.812 177.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.2 m95 -127.54 152.54 47.48 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 125.458 1.503 . . . . 10.42 107.385 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.15 138.11 35.89 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 104.904 -2.258 . . . . 9.11 104.904 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -95.2 120.8 36.04 Favored 'General case' 0 C--O 1.263 1.772 0 N-CA-C 100.79 -3.782 . . . . 12.74 100.79 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . 0.307 69.0 m -123.33 140.33 53.13 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 116.055 -1.926 . . . . 10.88 113.599 -175.494 -58.259 -81.084 -81.213 106.203 1.932 107.895 -51.685 -60.074 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 34.4 m . . . . . 0 C--N 1.315 -0.897 0 O-C-N 128.051 3.344 . . . . 16.51 110.523 179.667 -50.987 -90.426 104.476 104.675 1.966 113.084 -97.367 -66.201 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.278 2.576 0 N-CA-C 104.345 -2.465 . . . . 19.56 104.345 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.438 ' CB ' ' CZ ' ' B' ' 29' ' ' PHE . 60.2 m -101.86 140.14 36.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 128.643 3.714 . . . . 18.01 113.057 -178.556 -55.643 -98.236 109.664 108.308 2.011 106.661 -93.073 -50.805 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.97 148.07 46.7 Favored 'General case' 0 C--O 1.198 -1.615 1 O-C-N 129.207 4.067 . . . . 28.92 114.11 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' B' ' 28' ' ' ALA . 93.9 m -81.76 128.39 33.95 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 104.464 -2.421 . . . . 16.7 104.464 176.055 -68.687 -70.825 -97.569 108.054 1.979 101.339 -167.756 -38.97 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -132.78 147.52 52.31 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 125.483 1.739 . . . . 24.17 113.918 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' B' ' 8' ' ' PRO 0.417 0.0 OUTLIER -131.94 137.2 29.68 Favored Pre-proline 0 C--O 1.255 1.394 0 CA-C-N 111.307 -2.679 . . . . 26.26 107.008 178.106 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' B' ' 7' ' ' ILE . 95.5 Cg_endo -82.66 -16.07 31.08 Favored 'Cis proline' 0 N--CA 1.449 -1.093 0 CA-C-O 122.235 0.848 . . . . 20.71 112.168 -0.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.75 178.21 10.35 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 108.083 -1.08 . . . . 18.32 108.083 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.9 m -65.43 141.64 58.45 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 127.096 2.748 . . . . 20.07 111.444 179.909 -60.813 -45.264 -87.599 106.611 1.961 105.424 -80.078 -57.952 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . 0.36 5.1 mt -71.09 162.94 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-N 111.023 -2.808 . . . . 24.12 107.647 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 131.36 50.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 117.588 -3.195 . . . . 24.15 111.711 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.26 15.93 73.03 Favored Glycine 0 C--O 1.289 3.551 1 O-C-N 129.941 4.525 . . . . 26.82 116.391 179.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -125.35 159.9 30.65 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 103.814 -2.662 . . . . 23.62 103.814 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . . . -130.86 151.69 51.01 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 126.603 2.439 . . . . 17.96 104.95 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -86.51 116.39 24.62 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.371 -2.728 . . . . 26.43 109.272 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -116.39 -3.8 11.88 Favored 'General case' 0 C--O 1.269 2.097 1 O-C-N 129.627 4.329 . . . . 14.32 111.172 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.65 -162.56 26.4 Favored Glycine 0 N--CA 1.444 -0.832 0 O-C-N 119.842 -1.786 . . . . 12.92 113.109 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -140.22 143.05 35.81 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 124.886 0.992 . . . . 13.08 111.378 -177.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 m -113.07 127.83 56.32 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 127.559 3.037 . . . . 12.53 104.669 175.414 -38.97 -167.756 -97.569 101.339 1.979 108.054 -70.825 -68.687 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.559 HG12 HD23 ' B' ' 26' ' ' LEU . 64.5 mt -108.15 121.76 61.61 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 124.872 1.358 . . . . 12.93 107.479 -177.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -142.78 124.65 15.13 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 106.945 -1.502 . . . . 16.21 106.945 178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 40.32 56.22 2.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.239 1.57 . . . . 21.87 115.239 177.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.66 -5.53 22.63 Favored Glycine 0 C--N 1.295 -1.718 0 N-CA-C 117.041 1.576 . . . . 20.23 117.041 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -98.61 147.11 25.14 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.191 -1.182 . . . . 33.57 109.473 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.559 HD23 HG12 ' B' ' 21' ' ' ILE . 89.8 mt -112.89 118.56 35.24 Favored 'General case' 0 C--O 1.248 1.025 0 O-C-N 126.58 2.425 . . . . 19.19 109.081 177.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -105.99 153.04 22.57 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 126.984 2.114 . . . . 23.03 109.512 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' B' ' 5' ' ' CYS . . . -74.43 134.82 42.34 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 126.247 1.819 . . . . 12.86 107.052 177.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' B' ' 3' ' ' CYS . 29.9 t80 -101.46 111.02 23.13 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 100.286 -3.968 . . . . 12.24 100.286 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . 0.284 67.2 m -116.18 134.86 54.46 Favored 'General case' 0 C--N 1.273 -2.75 0 C-N-CA 128.151 2.58 . . . . 13.0 115.983 -174.883 -57.952 -80.078 -87.599 105.424 1.961 106.611 -45.264 -60.813 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.488 1.462 1 O-C-N 131.234 5.334 . . . . 16.76 109.568 179.192 -50.805 -93.073 109.664 106.661 2.011 108.308 -98.236 -55.643 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_