data_5hyu_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 5hyu _Structure_validation_residue.Date_analyzed 2016-10-13 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 ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.555 0.217 . . . . 119.9 111.446 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -132.92 120.1 21.02 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.025 1.12 . . . . 143.39 114.025 -176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 136.7 58.12 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.43 -1.322 . . . . 96.7 107.43 177.218 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -65.24 123.76 20.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.598 -1.26 . . . . 84.53 107.598 175.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . 0.88 ' O ' ' N ' ' A' ' 59' ' ' GLU . 3.5 pm0 -68.26 175.38 3.31 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 106.274 -1.75 . . . . 120.22 106.274 178.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.83 34.04 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 119.112 -1.035 . . . . 81.5 110.825 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -102.79 12.32 36.39 Favored 'General case' 0 CA--C 1.46 -2.51 0 C-N-CA 127.718 2.407 . . . . 95.46 114.875 175.147 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mt -48.44 -38.67 20.41 Favored 'General case' 0 N--CA 1.388 -3.547 0 CA-C-N 108.922 -3.763 . . . . 63.53 107.716 146.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -65.29 -50.07 67.1 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.007 -1.077 . . . . 56.32 111.435 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.84 -37.59 71.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.837 -0.745 . . . . 70.71 110.595 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -65.61 -40.17 92.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.676 -0.693 . . . . 61.65 109.849 -176.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.05 -45.5 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.529 -0.759 . . . . 54.31 111.023 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -54.19 -48.8 70.56 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.285 -0.416 . . . . 61.1 110.511 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -67.55 -36.65 81.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 120.381 -0.527 . . . . 93.36 111.869 -175.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.32 -38.05 74.85 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 117.911 -1.516 . . . . 56.8 109.423 -177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.72 -37.63 86.95 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.839 -0.744 . . . . 63.59 109.448 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -70.85 -31.24 67.87 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 118.633 -1.227 . . . . 67.82 111.467 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.32 -35.51 71.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.764 0.653 . . . . 73.77 112.764 174.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -59.62 -49.93 75.85 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.938 -0.764 . . . . 77.29 108.938 174.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.79 71.22 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.336 0.397 . . . . 67.31 110.864 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -58.21 -36.24 72.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 129.48 110.857 178.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.82 -46.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.443 . . . . 84.31 112.195 175.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -54.62 -44.18 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.812 0.301 . . . . 78.67 111.812 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -59.14 -48.21 82.46 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.768 -0.456 . . . . 116.05 109.768 174.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -38.55 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.029 -0.269 . . . . 107.81 110.424 179.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.39 -67.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.275 0.63 . . . . 107.91 110.995 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -70.7 -18.28 62.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 119.579 -0.848 . . . . 141.21 112.095 -173.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -40.61 69.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.515 -0.55 . . . . 139.89 109.515 175.835 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.43 -46.37 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.856 -0.794 . . . . 127.27 108.856 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.94 -30.71 71.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.989 0.737 . . . . 156.56 112.989 -174.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.57 -71.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.535 -0.302 . . . . 184.0 110.706 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.17 -27.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 167.12 113.083 -172.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.41 -1.36 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.476 -0.329 . . . . 177.21 110.82 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.039 0.447 . . . . 165.77 111.478 177.308 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' SER . . . . . 0.661 ' OG ' ' O ' ' B' ' 207' ' ' HOH . 47.2 t . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 112.158 0.429 . . . . 107.87 112.158 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -97.8 171.42 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 114.176 1.176 . . . . 98.09 114.176 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 47.4 m -105.16 145.94 29.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 113.613 0.968 . . . . 98.95 113.613 -174.169 -76.711 91.654 100.466 98.732 2.044 102.826 70.191 -173.892 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.59 -165.95 39.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.136 -1.986 . . . . 78.12 108.136 167.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.16 146.29 63.43 Favored 'Trans proline' 0 C--N 1.334 -0.202 0 C-N-CA 118.157 -0.762 . . . . 83.29 110.988 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -65.02 149.64 89.08 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 124.616 3.544 . . . . 69.99 114.114 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -63.47 148.34 92.65 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.866 1.71 . . . . 60.54 110.173 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.59 140.09 35.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 117.772 -1.571 . . . . 67.59 107.197 174.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -104.0 145.41 30.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.939 -0.764 . . . . 71.17 108.939 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -76.68 -19.88 57.24 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.699 -0.4 . . . . 65.93 111.945 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -112.87 -6.28 13.81 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.816 1.043 . . . . 69.53 113.816 -170.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.15 157.13 36.94 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.922 0.712 . . . . 65.73 112.922 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -129.22 151.16 77.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 78.44 110.281 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.77 135.99 31.82 Favored 'Trans proline' 0 C--O 1.223 -0.225 0 O-C-N 122.349 0.657 . . . . 80.38 111.848 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 73.4 mtm -67.68 157.39 34.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.335 -0.987 . . . . 127.06 108.335 169.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ASP . . . . . 0.676 ' O ' ' O ' ' B' ' 203' ' ' HOH . 81.6 m-20 57.98 103.23 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 113.066 0.765 . . . . 154.46 113.066 179.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 tp -68.94 103.88 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 118.975 -1.09 . . . . 145.52 108.505 166.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.36 164.47 12.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.763 -1.94 . . . . 152.45 105.763 176.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -10.27 0.34 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.974 0.361 . . . . 174.1 111.974 -174.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m 45.1 56.78 5.19 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.822 -1.177 . . . . 179.59 107.822 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -39.36 119.67 0.96 Allowed 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 106.841 -1.54 . . . . 171.39 106.841 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -55.13 -3.53 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 116.253 1.946 . . . . 114.44 116.253 -170.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -136.03 150.67 49.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.913 -0.492 . . . . 97.34 110.212 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.84 128.4 24.61 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 112.153 0.427 . . . . 74.59 112.153 -176.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -42.05 133.01 3.1 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 124.384 1.053 . . . . 141.35 110.996 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -58.84 138.23 57.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.617 -0.833 . . . . 102.54 108.821 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 -1.67 82.01 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 115.709 1.043 . . . . 95.3 115.709 -175.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -67.69 145.48 54.74 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.151 -1.02 . . . . 99.14 108.802 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.1 p -121.76 135.37 54.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 107.871 -1.159 . . . . 76.44 107.871 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . 0.688 ' O ' ' O ' ' B' ' 202' ' ' HOH . 66.6 mt -114.69 139.56 49.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.312 -0.625 . . . . 80.57 109.312 178.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . 0.547 ' O ' ' O ' ' B' ' 208' ' ' HOH . 98.7 mttt -91.15 132.48 36.05 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 120.657 -0.417 . . . . 117.29 111.265 -176.54 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -116.68 163.91 15.42 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.981 0.896 . . . . 80.09 113.131 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 7.8 t -136.62 151.68 49.6 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.441 -1.254 . . . . 79.82 109.169 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -63.54 138.6 58.57 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.657 0.984 . . . . 71.85 113.657 -178.662 -73.444 -44.526 -98.375 114.851 2.038 113.217 -91.602 -62.358 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.8 mt -71.16 160.04 83.73 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.329 -0.396 . . . . 64.8 109.934 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.7 144.6 85.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 O-C-N 122.693 0.839 . . . . 62.77 110.286 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.75 -9.19 78.07 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-O 119.077 -0.846 . . . . 54.53 112.146 -172.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -126.38 146.17 50.17 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.042 1.127 . . . . 69.03 114.042 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.35 153.0 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 122.036 0.922 . . . . 62.54 113.322 174.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . 0.74 ' NH2' ' O ' ' B' ' 42' ' ' SER . 77.3 ttt180 -65.74 137.66 57.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.868 -1.06 . . . . 82.61 111.061 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -135.4 10.18 3.46 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.851 0.686 . . . . 65.19 112.851 -177.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -149.62 156.16 41.45 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.609 -1.256 . . . . 109.02 107.609 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' SER . . . . . 0.74 ' O ' ' NH2' ' B' ' 39' ' ' ARG . 4.6 p -72.47 -38.98 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.013 -0.675 . . . . 98.57 110.718 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 47.0 p -95.34 111.94 23.73 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.175 0.988 . . . . 106.78 113.314 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -104.4 58.5 0.71 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.275 -0.875 . . . . 77.63 110.768 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 30.5 p -136.72 156.08 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.118 1.155 . . . . 72.71 114.118 -174.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . 0.733 ' N ' ' O ' ' B' ' 202' ' ' HOH . 1.8 mt -109.47 139.67 44.16 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 105.609 -1.997 . . . . 79.24 105.609 162.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 44.2 p -127.68 141.37 51.62 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.571 -0.899 . . . . 93.38 108.571 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 49.3 t -80.05 116.05 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.333 -0.617 . . . . 88.39 109.333 177.385 -173.892 70.191 100.466 102.826 2.044 98.732 91.654 -76.711 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -86.33 -173.54 4.59 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.481 -0.888 . . . . 103.96 111.502 -177.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.1 p -69.9 -22.81 63.19 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.566 0.58 . . . . 126.22 112.566 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -91.8 14.84 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.798 0.666 . . . . 119.44 112.798 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.61 23.19 77.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 115.381 0.912 . . . . 100.88 115.381 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -122.53 143.32 49.79 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.566 0.95 . . . . 144.32 113.566 -174.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -78.53 130.79 36.39 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.283 -0.872 . . . . 84.14 111.298 177.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.31 145.64 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-O 121.487 0.66 . . . . 102.76 111.81 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -178.01 156.59 1.06 Allowed 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.509 -0.769 . . . . 80.46 109.854 -170.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -110.64 167.37 10.28 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 118.623 -1.231 . . . . 125.47 111.977 168.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 51.5 m -67.57 96.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 77.11 109.829 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -99.32 13.41 33.25 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.295 -0.962 . . . . 66.54 113.452 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.31 147.86 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.964 0.165 . . . . 68.51 110.843 171.703 -62.358 -91.602 -98.375 113.217 2.038 114.851 -44.526 -73.444 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 pt -121.86 169.1 13.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.732 -0.84 . . . . 54.77 108.732 171.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -60.42 139.33 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.84 -0.344 . . . . 60.82 111.912 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.75 165.0 18.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 118.931 -1.108 . . . . 69.36 108.84 162.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -129.93 140.96 50.85 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.875 -0.73 . . . . 52.2 109.418 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 69.5 m -76.71 147.65 37.26 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 124.152 0.907 . . . . 58.66 113.23 177.486 -71.609 73.685 93.94 113.2 2.046 97.983 69.61 -179.389 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . 0.659 ' O ' ' O ' ' B' ' 204' ' ' HOH . 2.2 mmp_? -50.91 142.16 12.23 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.857 -0.794 . . . . 116.72 108.857 164.463 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -63.56 133.61 95.58 Favored Pre-proline 0 C--O 1.217 -0.605 0 C-N-CA 118.597 -1.241 . . . . 56.74 108.024 167.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -81.73 0.66 9.75 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 117.048 -1.501 . . . . 70.28 112.442 -169.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 -168.57 30.4 Favored Glycine 0 C--O 1.219 -0.826 0 N-CA-C 114.95 0.74 . . . . 72.86 114.95 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -88.03 156.12 19.46 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.698 0.761 . . . . 112.05 112.723 -173.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.76 109.81 21.9 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.717 -1.216 . . . . 67.73 107.717 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' B' ' 212' ' ' HOH . 4.8 tpt180 -57.92 122.62 13.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.993 0.425 . . . . 148.23 110.18 -177.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ASN . . . . . 0.727 ' O ' ' O ' ' B' ' 201' ' ' HOH . 75.7 m-20 68.96 11.02 8.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 114.594 -1.185 . . . . 78.36 111.748 -177.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.1 -163.9 10.26 Favored Glycine 0 CA--C 1.499 -0.921 0 C-N-CA 119.835 -1.174 . . . . 81.14 113.726 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.4 140.23 43.05 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.57 -0.815 . . . . 124.8 111.208 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -106.98 114.89 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.374 -1.343 . . . . 60.47 107.374 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -103.41 117.41 34.4 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.322 0.49 . . . . 93.64 112.322 -175.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 32.2 mt -76.94 128.92 37.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 107.513 -1.292 . . . . 61.4 107.513 171.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -97.02 -38.9 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.233 0.457 . . . . 89.41 112.233 -178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 40.2 p -129.54 -80.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.004 -0.739 . . . . 56.0 109.004 174.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 p30 -144.57 -159.04 0.94 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.663 -0.866 . . . . 58.78 108.663 173.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 mt -116.64 24.72 11.09 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.401 0.619 . . . . 48.37 110.034 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.0 m -77.26 153.12 34.27 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.215 -0.902 . . . . 61.22 111.347 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -36.37 125.92 0.8 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.037 0.835 . . . . 50.79 110.057 168.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.09 -18.43 57.37 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 115.82 1.088 . . . . 48.79 115.82 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -87.89 159.99 18.14 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.389 -1.065 . . . . 48.85 112.388 -174.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -121.11 142.55 49.75 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.646 -0.706 . . . . 68.3 109.953 -174.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 pt -112.49 158.21 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 120.611 -0.436 . . . . 57.56 110.021 169.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -120.1 146.78 45.62 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.523 0.564 . . . . 88.97 112.523 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.0 144.89 43.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.876 -1.057 . . . . 54.66 110.374 -176.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 66.6 p -148.21 157.65 43.62 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.108 -0.637 . . . . 63.37 109.704 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 24.4 m -113.52 141.53 47.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.277 -0.874 . . . . 74.1 112.342 -178.371 -79.431 -50.712 -86.901 121.644 2.043 101.162 -70.165 -63.396 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m -63.81 159.27 19.83 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.187 -0.461 . . . . 78.86 111.438 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -34.73 -48.39 0.38 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 117.562 2.43 . . . . 134.77 117.562 -173.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.89 23.68 13.11 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 118.904 2.321 . . . . 91.02 118.904 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -139.17 157.53 45.77 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.772 1.397 . . . . 88.33 114.772 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -106.68 137.08 45.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.851 -0.613 . . . . 115.62 109.746 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 tt -83.28 120.95 26.47 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.849 -0.797 . . . . 68.37 108.849 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mp -113.84 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 87.04 110.026 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.21 -152.88 17.34 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.797 -0.921 . . . . 63.27 110.797 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.9 t -92.69 144.21 25.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.426 -0.91 . . . . 63.19 111.813 -175.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 68.2 p -81.92 -13.08 58.03 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 113.297 0.851 . . . . 60.37 113.297 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 43.1 p -135.72 163.36 30.34 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 120.96 0.41 . . . . 53.49 111.632 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 15.8 t -150.52 157.6 43.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.213 -1.403 . . . . 49.04 107.213 170.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -135.26 136.07 41.39 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.885 -0.783 . . . . 71.89 108.885 -165.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 53.9 t -76.45 117.9 18.58 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.862 -1.162 . . . . 71.28 107.862 179.137 -179.389 69.61 93.94 97.983 2.046 113.2 73.685 -71.609 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -132.59 167.53 19.88 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.404 -0.591 . . . . 73.22 109.404 -172.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.43 129.94 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 123.913 0.758 . . . . 56.46 110.178 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.88 135.61 23.36 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 107.832 -1.173 . . . . 69.89 107.832 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ASP . . . . . 0.657 ' O ' ' O ' ' B' ' 206' ' ' HOH . 6.8 t0 53.72 -129.06 2.31 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.508 -1.293 . . . . 115.62 107.508 -176.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -107.84 10.99 28.5 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.94 -1.104 . . . . 122.1 108.812 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.15 -125.7 2.8 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.499 -0.858 . . . . 63.21 111.974 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.36 150.88 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.16 -1.052 . . . . 53.9 108.16 -169.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -167.61 176.41 42.34 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.851 -0.531 . . . . 57.87 112.236 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -87.49 132.63 33.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.237 0.828 . . . . 58.66 113.237 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 24.0 p -64.82 -48.05 75.8 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 120.698 -0.401 . . . . 56.65 110.055 -171.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -108.85 145.52 31.86 Favored Pre-proline 0 C--N 1.332 -0.194 0 C-N-CA 123.59 0.756 . . . . 60.98 111.654 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -69.75 151.49 69.16 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 120.731 0.954 . . . . 56.54 110.401 172.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.63 138.25 16.9 Favored Pre-proline 0 C--O 1.24 0.593 0 O-C-N 123.801 0.688 . . . . 69.68 109.888 169.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.63 178.5 7.54 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.852 2.368 . . . . 60.05 109.43 174.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -115.52 151.35 35.0 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.098 -1.075 . . . . 104.28 108.098 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' B' ' 201' ' ' HOH . 74.8 m -109.68 120.38 42.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.103 -1.073 . . . . 83.08 108.103 171.769 -63.396 -70.165 -86.901 101.162 2.043 121.644 -50.712 -79.431 2 2 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -135.46 177.35 7.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.502 0.927 . . . . 114.42 113.502 -163.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--O 1.235 0.296 0 O-C-N 124.454 1.096 . . . . 95.58 110.332 179.245 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.727 ' O ' ' O ' ' B' ' 73' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.733 ' O ' ' N ' ' B' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . 0.676 ' O ' ' O ' ' B' ' 15' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . 0.659 ' O ' ' O ' ' B' ' 66' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . 0.669 ' O ' ' O ' ' B' ' 73' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . 0.657 ' O ' ' O ' ' B' ' 110' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . 0.661 ' O ' ' OG ' ' B' ' 0' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . 0.553 ' O ' ' N ' ' B' ' 122' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . 0.518 ' O ' ' N ' ' B' ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.555 0.217 . . . . 119.90000000000001 111.446 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 207' ' ' HOH . 27.2 mmmt -132.92 120.1 21.02 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.025 1.12 . . . . 143.38999999999999 114.025 -176.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 136.7 58.12 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.43 -1.322 . . . . 96.700000000000003 107.43 177.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . 0.555 ' HB2' HD21 ' A' ' 60' ' ' LEU . 4.0 m -65.24 123.76 20.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.598 -1.26 . . . . 84.530000000000001 107.598 175.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . 0.88 ' O ' ' N ' ' A' ' 59' ' ' GLU . 3.5 pm0 -68.26 175.38 3.31 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 106.274 -1.75 . . . . 120.22 106.274 178.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.83 34.04 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 119.112 -1.035 . . . . 81.5 110.825 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -102.79 12.32 36.39 Favored 'General case' 0 CA--C 1.46 -2.51 0 C-N-CA 127.718 2.407 . . . . 95.459999999999994 114.875 175.147 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 56' ' ' SER . 3.9 mt -48.44 -38.67 20.41 Favored 'General case' 0 N--CA 1.388 -3.547 0 CA-C-N 108.922 -3.763 . . . . 63.530000000000001 107.716 146.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -65.29 -50.07 67.1 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.007 -1.077 . . . . 56.32 111.435 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.84 -37.59 71.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.837 -0.745 . . . . 70.709999999999994 110.595 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -65.61 -40.17 92.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.676 -0.693 . . . . 61.649999999999999 109.849 -176.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . 0.842 ' HA ' ' O ' ' A' ' 212' ' ' HOH . 78.3 mt -64.05 -45.5 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.529 -0.759 . . . . 54.310000000000002 111.023 175.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -54.19 -48.8 70.56 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.285 -0.416 . . . . 61.100000000000001 110.511 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -67.55 -36.65 81.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 120.381 -0.527 . . . . 93.359999999999999 111.869 -175.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 212' ' ' HOH . 29.7 mt -70.32 -38.05 74.85 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 117.911 -1.516 . . . . 56.799999999999997 109.423 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' B' ' 64' ' ' ARG . 97.8 mt-10 -65.72 -37.63 86.95 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.839 -0.744 . . . . 63.590000000000003 109.448 179.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -70.85 -31.24 67.87 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 118.633 -1.227 . . . . 67.819999999999993 111.467 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.32 -35.51 71.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.764 0.653 . . . . 73.769999999999996 112.764 174.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -59.62 -49.93 75.85 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.938 -0.764 . . . . 77.290000000000006 108.938 174.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.79 71.22 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.336 0.397 . . . . 67.310000000000002 110.864 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -58.21 -36.24 72.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 129.47999999999999 110.857 178.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.82 -46.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.443 . . . . 84.310000000000002 112.195 175.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -54.62 -44.18 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.812 0.301 . . . . 78.670000000000002 111.812 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 80' ' ' LYS . 75.5 mm-40 -59.14 -48.21 82.46 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.768 -0.456 . . . . 116.05 109.768 174.753 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -38.55 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.029 -0.269 . . . . 107.81 110.424 179.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.39 -67.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.275 0.63 . . . . 107.91 110.995 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -70.7 -18.28 62.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 119.579 -0.848 . . . . 141.21000000000001 112.095 -173.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -71.64 -40.61 69.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.515 -0.55 . . . . 139.88999999999999 109.515 175.835 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.43 -46.37 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.856 -0.794 . . . . 127.27 108.856 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 201' ' ' HOH . 2.7 tt0 -64.94 -30.71 71.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.989 0.737 . . . . 156.56 112.989 -174.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.57 -71.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.535 -0.302 . . . . 184.0 110.706 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.17 -27.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 167.12 113.083 -172.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.41 -1.36 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.476 -0.329 . . . . 177.21000000000001 110.82 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.039 0.447 . . . . 165.77000000000001 111.478 177.308 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' SER . . . . . 0.661 ' OG ' ' O ' ' B' ' 207' ' ' HOH . 47.2 t . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 112.158 0.429 . . . . 107.87 112.158 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -97.8 171.42 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 114.176 1.176 . . . . 98.090000000000003 114.176 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 47.4 m -105.16 145.94 29.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 113.613 0.968 . . . . 98.950000000000003 113.613 -174.169 -76.711 91.654 100.466 98.732 2.044 102.826 70.191 -173.892 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.59 -165.95 39.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.136 -1.986 . . . . 78.120000000000005 108.136 167.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.16 146.29 63.43 Favored 'Trans proline' 0 C--N 1.334 -0.202 0 C-N-CA 118.157 -0.762 . . . . 83.290000000000006 110.988 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 63.1 Cg_endo -65.02 149.64 89.08 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 124.616 3.544 . . . . 69.989999999999995 114.114 -177.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -63.47 148.34 92.65 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.866 1.71 . . . . 60.539999999999999 110.173 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.59 140.09 35.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 117.772 -1.571 . . . . 67.590000000000003 107.197 174.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . 0.528 HD11 HD21 ' B' ' 46' ' ' LEU . 57.9 mt -104.0 145.41 30.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.939 -0.764 . . . . 71.170000000000002 108.939 -177.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -76.68 -19.88 57.24 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.699 -0.4 . . . . 65.930000000000007 111.945 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -112.87 -6.28 13.81 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.816 1.043 . . . . 69.530000000000001 113.816 -170.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.15 157.13 36.94 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.922 0.712 . . . . 65.730000000000004 112.922 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -129.22 151.16 77.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 78.439999999999998 110.281 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.77 135.99 31.82 Favored 'Trans proline' 0 C--O 1.223 -0.225 0 O-C-N 122.349 0.657 . . . . 80.379999999999995 111.848 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 73.4 mtm -67.68 157.39 34.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.335 -0.987 . . . . 127.06 108.335 169.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ASP . . . . . 0.676 ' O ' ' O ' ' B' ' 203' ' ' HOH . 81.6 m-20 57.98 103.23 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 113.066 0.765 . . . . 154.46000000000001 113.066 179.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' B' ' 227' ' ' HOH . 3.5 tp -68.94 103.88 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 118.975 -1.09 . . . . 145.52000000000001 108.505 166.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -110.36 164.47 12.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.763 -1.94 . . . . 152.44999999999999 105.763 176.704 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -10.27 0.34 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.974 0.361 . . . . 174.09999999999999 111.974 -174.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 17' ' ' THR . 16.6 m 45.1 56.78 5.19 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.822 -1.177 . . . . 179.59 107.822 -176.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -39.36 119.67 0.96 Allowed 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 106.841 -1.54 . . . . 171.38999999999999 106.841 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -55.13 -3.53 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 116.253 1.946 . . . . 114.44 116.253 -170.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -136.03 150.67 49.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.913 -0.492 . . . . 97.340000000000003 110.212 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.84 128.4 24.61 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 112.153 0.427 . . . . 74.590000000000003 112.153 -176.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -42.05 133.01 3.1 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 124.384 1.053 . . . . 141.34999999999999 110.996 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -58.84 138.23 57.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.617 -0.833 . . . . 102.54000000000001 108.821 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 -1.67 82.01 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 115.709 1.043 . . . . 95.299999999999997 115.709 -175.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -67.69 145.48 54.74 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.151 -1.02 . . . . 99.140000000000001 108.802 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.1 p -121.76 135.37 54.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 107.871 -1.159 . . . . 76.439999999999998 107.871 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.688 ' O ' ' O ' ' B' ' 202' ' ' HOH . 66.6 mt -114.69 139.56 49.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.312 -0.625 . . . . 80.569999999999993 109.312 178.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . 0.547 ' O ' ' O ' ' B' ' 208' ' ' HOH . 98.7 mttt -91.15 132.48 36.05 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 120.657 -0.417 . . . . 117.29000000000001 111.265 -176.54 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -116.68 163.91 15.42 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.981 0.896 . . . . 80.090000000000003 113.131 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 7.8 t -136.62 151.68 49.6 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.441 -1.254 . . . . 79.819999999999993 109.169 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -63.54 138.6 58.57 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.657 0.984 . . . . 71.849999999999994 113.657 -178.662 -73.444 -44.526 -98.375 114.851 2.038 113.217 -91.602 -62.358 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.8 mt -71.16 160.04 83.73 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.329 -0.396 . . . . 64.799999999999997 109.934 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.7 144.6 85.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 O-C-N 122.693 0.839 . . . . 62.770000000000003 110.286 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.75 -9.19 78.07 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-O 119.077 -0.846 . . . . 54.530000000000001 112.146 -172.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -126.38 146.17 50.17 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.042 1.127 . . . . 69.030000000000001 114.042 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' VAL . . . . . 0.589 HG13 ' HG2' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -122.35 153.0 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 122.036 0.922 . . . . 62.539999999999999 113.322 174.628 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . 0.74 ' NH2' ' O ' ' B' ' 42' ' ' SER . 77.3 ttt180 -65.74 137.66 57.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.868 -1.06 . . . . 82.609999999999999 111.061 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -135.4 10.18 3.46 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.851 0.686 . . . . 65.189999999999998 112.851 -177.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' B' ' 247' ' ' HOH . 59.2 t-80 -149.62 156.16 41.45 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.609 -1.256 . . . . 109.02 107.609 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' SER . . . . . 0.74 ' O ' ' NH2' ' B' ' 39' ' ' ARG . 4.6 p -72.47 -38.98 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.013 -0.675 . . . . 98.569999999999993 110.718 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 47.0 p -95.34 111.94 23.73 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.175 0.988 . . . . 106.78 113.314 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -104.4 58.5 0.71 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.275 -0.875 . . . . 77.629999999999995 110.768 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 30.5 p -136.72 156.08 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.118 1.155 . . . . 72.709999999999994 114.118 -174.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . 0.528 HD21 HD11 ' B' ' 8' ' ' LEU . 1.8 mt -109.47 139.67 44.16 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 105.609 -1.997 . . . . 79.239999999999995 105.609 162.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 44.2 p -127.68 141.37 51.62 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.571 -0.899 . . . . 93.379999999999995 108.571 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 49.3 t -80.05 116.05 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.333 -0.617 . . . . 88.390000000000001 109.333 177.385 -173.892 70.191 100.466 102.826 2.044 98.732 91.654 -76.711 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -86.33 -173.54 4.59 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.481 -0.888 . . . . 103.95999999999999 111.502 -177.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.1 p -69.9 -22.81 63.19 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.566 0.58 . . . . 126.22 112.566 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -91.8 14.84 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.798 0.666 . . . . 119.44 112.798 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.61 23.19 77.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 115.381 0.912 . . . . 100.88 115.381 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -122.53 143.32 49.79 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.566 0.95 . . . . 144.31999999999999 113.566 -174.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' B' ' 5' ' ' PRO . 93.6 m95 -78.53 130.79 36.39 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.283 -0.872 . . . . 84.140000000000001 111.298 177.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.31 145.64 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-O 121.487 0.66 . . . . 102.76000000000001 111.81 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' TYR . . . . . 0.453 ' CG ' HD22 ' B' ' 46' ' ' LEU . 55.0 p90 -178.01 156.59 1.06 Allowed 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.509 -0.769 . . . . 80.459999999999994 109.854 -170.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -110.64 167.37 10.28 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 118.623 -1.231 . . . . 125.47 111.977 168.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 51.5 m -67.57 96.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 77.109999999999999 109.829 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -99.32 13.41 33.25 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.295 -0.962 . . . . 66.540000000000006 113.452 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.31 147.86 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.964 0.165 . . . . 68.510000000000005 110.843 171.703 -62.358 -91.602 -98.375 113.217 2.038 114.851 -44.526 -73.444 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ILE . . . . . 0.445 HG13 HG23 ' B' ' 38' ' ' VAL . 24.3 pt -121.86 169.1 13.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.732 -0.84 . . . . 54.770000000000003 108.732 171.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -60.42 139.33 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.84 -0.344 . . . . 60.82 111.912 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LYS . . . . . 0.589 ' HG2' HG13 ' B' ' 38' ' ' VAL . 80.9 mttt -67.75 165.0 18.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 118.931 -1.108 . . . . 69.359999999999999 108.84 162.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . 0.507 ' HD2' ' OE1' ' A' ' 68' ' ' GLU . 10.9 mtp85 -129.93 140.96 50.85 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.875 -0.73 . . . . 52.200000000000003 109.418 177.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' B' ' 113' ' ' VAL . 69.5 m -76.71 147.65 37.26 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 124.152 0.907 . . . . 58.659999999999997 113.23 177.486 -71.609 73.685 93.94 113.2 2.046 97.983 69.61 -179.389 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . 0.659 ' O ' ' O ' ' B' ' 204' ' ' HOH . 2.2 mmp_? -50.91 142.16 12.23 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.857 -0.794 . . . . 116.72 108.857 164.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' B' ' 204' ' ' HOH . 66.4 t-80 -63.56 133.61 95.58 Favored Pre-proline 0 C--O 1.217 -0.605 0 C-N-CA 118.597 -1.241 . . . . 56.740000000000002 108.024 167.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -81.73 0.66 9.75 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 117.048 -1.501 . . . . 70.280000000000001 112.442 -169.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 -168.57 30.4 Favored Glycine 0 C--O 1.219 -0.826 0 N-CA-C 114.95 0.74 . . . . 72.859999999999999 114.95 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -88.03 156.12 19.46 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.698 0.761 . . . . 112.05 112.723 -173.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . 0.55 HD13 ' HA3' ' B' ' 74' ' ' GLY . 0.0 OUTLIER -104.76 109.81 21.9 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.717 -1.216 . . . . 67.730000000000004 107.717 176.04 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.92 122.62 13.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.993 0.425 . . . . 148.22999999999999 110.18 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ASN . . . . . 0.727 ' O ' ' O ' ' B' ' 201' ' ' HOH . 75.7 m-20 68.96 11.02 8.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 114.594 -1.185 . . . . 78.359999999999999 111.748 -177.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . 0.55 ' HA3' HD13 ' B' ' 71' ' ' LEU . . . -135.1 -163.9 10.26 Favored Glycine 0 CA--C 1.499 -0.921 0 C-N-CA 119.835 -1.174 . . . . 81.140000000000001 113.726 -178.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.4 140.23 43.05 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.57 -0.815 . . . . 124.8 111.208 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' VAL . . . . . 0.542 HG12 ' O ' ' B' ' 233' ' ' HOH . 89.4 t -106.98 114.89 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.374 -1.343 . . . . 60.469999999999999 107.374 173.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -103.41 117.41 34.4 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.322 0.49 . . . . 93.640000000000001 112.322 -175.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 32.2 mt -76.94 128.92 37.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 107.513 -1.292 . . . . 61.399999999999999 107.513 171.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 213' ' ' HOH . 42.5 mtmt -97.02 -38.9 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.233 0.457 . . . . 89.409999999999997 112.233 -178.534 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 40.2 p -129.54 -80.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.004 -0.739 . . . . 56.0 109.004 174.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 p30 -144.57 -159.04 0.94 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.663 -0.866 . . . . 58.780000000000001 108.663 173.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 204' ' ' HOH . 35.1 mt -116.64 24.72 11.09 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.401 0.619 . . . . 48.369999999999997 110.034 179.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.0 m -77.26 153.12 34.27 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.215 -0.902 . . . . 61.219999999999999 111.347 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -36.37 125.92 0.8 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.037 0.835 . . . . 50.789999999999999 110.057 168.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.09 -18.43 57.37 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 115.82 1.088 . . . . 48.789999999999999 115.82 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -87.89 159.99 18.14 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.389 -1.065 . . . . 48.850000000000001 112.388 -174.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -121.11 142.55 49.75 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.646 -0.706 . . . . 68.299999999999997 109.953 -174.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 pt -112.49 158.21 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 120.611 -0.436 . . . . 57.560000000000002 110.021 169.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -120.1 146.78 45.62 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.523 0.564 . . . . 88.969999999999999 112.523 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.0 144.89 43.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.876 -1.057 . . . . 54.659999999999997 110.374 -176.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 66.6 p -148.21 157.65 43.62 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.108 -0.637 . . . . 63.369999999999997 109.704 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' B' ' 201' ' ' HOH . 24.4 m -113.52 141.53 47.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.277 -0.874 . . . . 74.099999999999994 112.342 -178.371 -79.431 -50.712 -86.901 121.644 2.043 101.162 -70.165 -63.396 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m -63.81 159.27 19.83 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.187 -0.461 . . . . 78.859999999999999 111.438 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -34.73 -48.39 0.38 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 117.562 2.43 . . . . 134.77000000000001 117.562 -173.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.89 23.68 13.11 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 118.904 2.321 . . . . 91.019999999999996 118.904 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -139.17 157.53 45.77 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.772 1.397 . . . . 88.329999999999998 114.772 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' PHE . . . . . 0.421 ' HD2' HD13 ' B' ' 124' ' ' ILE . 68.2 m-85 -106.68 137.08 45.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.851 -0.613 . . . . 115.62 109.746 174.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 tt -83.28 120.95 26.47 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.849 -0.797 . . . . 68.370000000000005 108.849 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mp -113.84 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 87.040000000000006 110.026 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.21 -152.88 17.34 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.797 -0.921 . . . . 63.270000000000003 110.797 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.9 t -92.69 144.21 25.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.426 -0.91 . . . . 63.189999999999998 111.813 -175.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 68.2 p -81.92 -13.08 58.03 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 113.297 0.851 . . . . 60.369999999999997 113.297 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 43.1 p -135.72 163.36 30.34 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 120.96 0.41 . . . . 53.490000000000002 111.632 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 15.8 t -150.52 157.6 43.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.213 -1.403 . . . . 49.039999999999999 107.213 170.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -135.26 136.07 41.39 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.885 -0.783 . . . . 71.890000000000001 108.885 -165.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 53.9 t -76.45 117.9 18.58 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.862 -1.162 . . . . 71.280000000000001 107.862 179.137 -179.389 69.61 93.94 97.983 2.046 113.2 73.685 -71.609 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -132.59 167.53 19.88 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.404 -0.591 . . . . 73.219999999999999 109.404 -172.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.43 129.94 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 123.913 0.758 . . . . 56.460000000000001 110.178 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.88 135.61 23.36 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 107.832 -1.173 . . . . 69.890000000000001 107.832 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ASP . . . . . 0.657 ' O ' ' O ' ' B' ' 206' ' ' HOH . 6.8 t0 53.72 -129.06 2.31 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.508 -1.293 . . . . 115.62 107.508 -176.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -107.84 10.99 28.5 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.94 -1.104 . . . . 122.09999999999999 108.812 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.15 -125.7 2.8 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.499 -0.858 . . . . 63.210000000000001 111.974 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' VAL . . . . . 0.519 HG13 ' SG ' ' B' ' 65' ' ' CYS . 0.3 OUTLIER -147.36 150.88 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.16 -1.052 . . . . 53.899999999999999 108.16 -169.299 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -167.61 176.41 42.34 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.851 -0.531 . . . . 57.869999999999997 112.236 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' TRP . . . . . 0.533 ' HZ2' ' O ' ' B' ' 204' ' ' HOH . 96.4 m95 -87.49 132.63 33.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.237 0.828 . . . . 58.659999999999997 113.237 -174.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 24.0 p -64.82 -48.05 75.8 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 120.698 -0.401 . . . . 56.649999999999999 110.055 -171.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -108.85 145.52 31.86 Favored Pre-proline 0 C--N 1.332 -0.194 0 C-N-CA 123.59 0.756 . . . . 60.979999999999997 111.654 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -69.75 151.49 69.16 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 120.731 0.954 . . . . 56.539999999999999 110.401 172.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LEU . . . . . 0.447 HD13 ' O ' ' B' ' 257' ' ' HOH . 2.3 mt -49.63 138.25 16.9 Favored Pre-proline 0 C--O 1.24 0.593 0 O-C-N 123.801 0.688 . . . . 69.680000000000007 109.888 169.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.63 178.5 7.54 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.852 2.368 . . . . 60.049999999999997 109.43 174.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -115.52 151.35 35.0 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.098 -1.075 . . . . 104.28 108.098 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' B' ' 201' ' ' HOH . 74.8 m -109.68 120.38 42.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.103 -1.073 . . . . 83.079999999999998 108.103 171.769 -63.396 -70.165 -86.901 101.162 2.043 121.644 -50.712 -79.431 2 2 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLU . . . . . 0.663 ' HB3' HD12 ' B' ' 124' ' ' ILE . 1.4 mt-10 -135.46 177.35 7.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.502 0.927 . . . . 114.42 113.502 -163.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' B' ' 123' ' ' GLU . 3.2 mp . . . . . 0 C--O 1.235 0.296 0 O-C-N 124.454 1.096 . . . . 95.579999999999998 110.332 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.408 ' O ' ' HG2' ' A' ' 82' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . 0.445 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . 0.4 ' O ' ' HD3' ' B' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . 0.842 ' O ' ' HA ' ' A' ' 64' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.727 ' O ' ' O ' ' B' ' 73' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.688 ' O ' ' O ' ' B' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . 0.676 ' O ' ' O ' ' B' ' 15' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . 0.659 ' O ' ' O ' ' B' ' 66' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . 0.669 ' O ' ' O ' ' B' ' 73' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . 0.657 ' O ' ' O ' ' B' ' 110' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . 0.661 ' O ' ' OG ' ' B' ' 0' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . 0.45 ' O ' ' HG2' ' B' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . 0.428 ' O ' ' HA ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . 0.542 ' O ' HG12 ' B' ' 76' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 247' ' ' HOH . . . . . 0.491 ' O ' ' HB2' ' B' ' 41' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 257' ' ' HOH . . . . . 0.507 ' O ' ' HG ' ' B' ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.555 0.217 . . . . 119.90000000000001 111.446 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 207' ' ' HOH . 27.2 mmmt -132.92 120.1 21.02 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.025 1.12 . . . . 143.38999999999999 114.025 -176.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 136.7 58.12 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 107.43 -1.322 . . . . 96.700000000000003 107.43 177.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . 0.555 ' HB2' HD21 ' A' ' 60' ' ' LEU . 4.0 m -65.24 123.76 20.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.598 -1.26 . . . . 84.530000000000001 107.598 175.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.88 ' O ' ' N ' ' A' ' 59' ' ' GLU . 3.5 pm0 -68.26 175.38 3.31 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 106.274 -1.75 . . . . 120.22 106.274 178.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.83 34.04 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 119.112 -1.035 . . . . 81.5 110.825 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.88 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -102.79 12.32 36.39 Favored 'General case' 0 CA--C 1.46 -2.51 0 C-N-CA 127.718 2.407 . . . . 95.459999999999994 114.875 175.147 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 56' ' ' SER . 3.9 mt -48.44 -38.67 20.41 Favored 'General case' 0 N--CA 1.388 -3.547 0 CA-C-N 108.922 -3.763 . . . . 63.530000000000001 107.716 146.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -65.29 -50.07 67.1 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.007 -1.077 . . . . 56.32 111.435 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.84 -37.59 71.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.837 -0.745 . . . . 70.709999999999994 110.595 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -65.61 -40.17 92.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.676 -0.693 . . . . 61.649999999999999 109.849 -176.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.842 ' HA ' ' O ' ' A' ' 212' ' ' HOH . 78.3 mt -64.05 -45.5 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.529 -0.759 . . . . 54.310000000000002 111.023 175.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -54.19 -48.8 70.56 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.285 -0.416 . . . . 61.100000000000001 110.511 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -67.55 -36.65 81.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 120.381 -0.527 . . . . 93.359999999999999 111.869 -175.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 212' ' ' HOH . 29.7 mt -70.32 -38.05 74.85 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 117.911 -1.516 . . . . 56.799999999999997 109.423 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' B' ' 64' ' ' ARG . 97.8 mt-10 -65.72 -37.63 86.95 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.839 -0.744 . . . . 63.590000000000003 109.448 179.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -70.85 -31.24 67.87 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 118.633 -1.227 . . . . 67.819999999999993 111.467 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.32 -35.51 71.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.764 0.653 . . . . 73.769999999999996 112.764 174.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -59.62 -49.93 75.85 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.938 -0.764 . . . . 77.290000000000006 108.938 174.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.79 71.22 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.336 0.397 . . . . 67.310000000000002 110.864 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -58.21 -36.24 72.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 129.47999999999999 110.857 178.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.82 -46.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.443 . . . . 84.310000000000002 112.195 175.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -54.62 -44.18 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.812 0.301 . . . . 78.670000000000002 111.812 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 80' ' ' LYS . 75.5 mm-40 -59.14 -48.21 82.46 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.768 -0.456 . . . . 116.05 109.768 174.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -38.55 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.029 -0.269 . . . . 107.81 110.424 179.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.39 -67.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.275 0.63 . . . . 107.91 110.995 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -70.7 -18.28 62.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 119.579 -0.848 . . . . 141.21000000000001 112.095 -173.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -71.64 -40.61 69.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.515 -0.55 . . . . 139.88999999999999 109.515 175.835 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.43 -46.37 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.856 -0.794 . . . . 127.27 108.856 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 201' ' ' HOH . 2.7 tt0 -64.94 -30.71 71.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.989 0.737 . . . . 156.56 112.989 -174.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.57 -71.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.535 -0.302 . . . . 184.0 110.706 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.17 -27.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 167.12 113.083 -172.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.41 -1.36 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.476 -0.329 . . . . 177.21000000000001 110.82 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.039 0.447 . . . . 165.77000000000001 111.478 177.308 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' SER . . . . . 0.661 ' OG ' ' O ' ' B' ' 207' ' ' HOH . 47.2 t . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 112.158 0.429 . . . . 107.87 112.158 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -97.8 171.42 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 114.176 1.176 . . . . 98.090000000000003 114.176 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 47.4 m -105.16 145.94 29.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 113.613 0.968 . . . . 98.950000000000003 113.613 -174.169 -76.711 91.654 100.466 98.732 2.044 102.826 70.191 -173.892 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.59 -165.95 39.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 108.136 -1.986 . . . . 78.120000000000005 108.136 167.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.16 146.29 63.43 Favored 'Trans proline' 0 C--N 1.334 -0.202 0 C-N-CA 118.157 -0.762 . . . . 83.290000000000006 110.988 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 63.1 Cg_endo -65.02 149.64 89.08 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 124.616 3.544 . . . . 69.989999999999995 114.114 -177.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -63.47 148.34 92.65 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.866 1.71 . . . . 60.539999999999999 110.173 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.59 140.09 35.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 117.772 -1.571 . . . . 67.590000000000003 107.197 174.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.528 HD11 HD21 ' B' ' 46' ' ' LEU . 57.9 mt -104.0 145.41 30.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.939 -0.764 . . . . 71.170000000000002 108.939 -177.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -76.68 -19.88 57.24 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.699 -0.4 . . . . 65.930000000000007 111.945 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -112.87 -6.28 13.81 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.816 1.043 . . . . 69.530000000000001 113.816 -170.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.15 157.13 36.94 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.922 0.712 . . . . 65.730000000000004 112.922 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -129.22 151.16 77.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 78.439999999999998 110.281 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.77 135.99 31.82 Favored 'Trans proline' 0 C--O 1.223 -0.225 0 O-C-N 122.349 0.657 . . . . 80.379999999999995 111.848 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 73.4 mtm -67.68 157.39 34.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.335 -0.987 . . . . 127.06 108.335 169.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.676 ' O ' ' O ' ' B' ' 203' ' ' HOH . 81.6 m-20 57.98 103.23 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 113.066 0.765 . . . . 154.46000000000001 113.066 179.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' B' ' 227' ' ' HOH . 3.5 tp -68.94 103.88 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 118.975 -1.09 . . . . 145.52000000000001 108.505 166.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -110.36 164.47 12.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 105.763 -1.94 . . . . 152.44999999999999 105.763 176.704 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -10.27 0.34 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.974 0.361 . . . . 174.09999999999999 111.974 -174.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 17' ' ' THR . 16.6 m 45.1 56.78 5.19 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.822 -1.177 . . . . 179.59 107.822 -176.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -39.36 119.67 0.96 Allowed 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 106.841 -1.54 . . . . 171.38999999999999 106.841 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.9 p -55.13 -3.53 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 116.253 1.946 . . . . 114.44 116.253 -170.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -136.03 150.67 49.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.913 -0.492 . . . . 97.340000000000003 110.212 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.84 128.4 24.61 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 112.153 0.427 . . . . 74.590000000000003 112.153 -176.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -42.05 133.01 3.1 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 124.384 1.053 . . . . 141.34999999999999 110.996 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -58.84 138.23 57.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.617 -0.833 . . . . 102.54000000000001 108.821 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 -1.67 82.01 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 115.709 1.043 . . . . 95.299999999999997 115.709 -175.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -67.69 145.48 54.74 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.151 -1.02 . . . . 99.140000000000001 108.802 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.1 p -121.76 135.37 54.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 107.871 -1.159 . . . . 76.439999999999998 107.871 175.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.688 ' O ' ' O ' ' B' ' 202' ' ' HOH . 66.6 mt -114.69 139.56 49.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.312 -0.625 . . . . 80.569999999999993 109.312 178.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.547 ' O ' ' O ' ' B' ' 208' ' ' HOH . 98.7 mttt -91.15 132.48 36.05 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 120.657 -0.417 . . . . 117.29000000000001 111.265 -176.54 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -116.68 163.91 15.42 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.981 0.896 . . . . 80.090000000000003 113.131 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 7.8 t -136.62 151.68 49.6 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.441 -1.254 . . . . 79.819999999999993 109.169 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -63.54 138.6 58.57 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.657 0.984 . . . . 71.849999999999994 113.657 -178.662 -73.444 -44.526 -98.375 114.851 2.038 113.217 -91.602 -62.358 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.8 mt -71.16 160.04 83.73 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.329 -0.396 . . . . 64.799999999999997 109.934 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.7 144.6 85.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 O-C-N 122.693 0.839 . . . . 62.770000000000003 110.286 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.75 -9.19 78.07 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-O 119.077 -0.846 . . . . 54.530000000000001 112.146 -172.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -126.38 146.17 50.17 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.042 1.127 . . . . 69.030000000000001 114.042 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.589 HG13 ' HG2' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -122.35 153.0 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 122.036 0.922 . . . . 62.539999999999999 113.322 174.628 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.74 ' NH2' ' O ' ' B' ' 42' ' ' SER . 77.3 ttt180 -65.74 137.66 57.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.868 -1.06 . . . . 82.609999999999999 111.061 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 80.5 p -135.4 10.18 3.46 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.851 0.686 . . . . 65.189999999999998 112.851 -177.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' B' ' 247' ' ' HOH . 59.2 t-80 -149.62 156.16 41.45 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.609 -1.256 . . . . 109.02 107.609 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' SER . . . . . 0.74 ' O ' ' NH2' ' B' ' 39' ' ' ARG . 4.6 p -72.47 -38.98 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.013 -0.675 . . . . 98.569999999999993 110.718 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 47.0 p -95.34 111.94 23.73 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.175 0.988 . . . . 106.78 113.314 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -104.4 58.5 0.71 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.275 -0.875 . . . . 77.629999999999995 110.768 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 30.5 p -136.72 156.08 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.118 1.155 . . . . 72.709999999999994 114.118 -174.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.528 HD21 HD11 ' B' ' 8' ' ' LEU . 1.8 mt -109.47 139.67 44.16 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 105.609 -1.997 . . . . 79.239999999999995 105.609 162.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 44.2 p -127.68 141.37 51.62 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.571 -0.899 . . . . 93.379999999999995 108.571 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 49.3 t -80.05 116.05 19.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.333 -0.617 . . . . 88.390000000000001 109.333 177.385 -173.892 70.191 100.466 102.826 2.044 98.732 91.654 -76.711 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -86.33 -173.54 4.59 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.481 -0.888 . . . . 103.95999999999999 111.502 -177.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.1 p -69.9 -22.81 63.19 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.566 0.58 . . . . 126.22 112.566 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -91.8 14.84 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.798 0.666 . . . . 119.44 112.798 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.61 23.19 77.41 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 115.381 0.912 . . . . 100.88 115.381 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -122.53 143.32 49.79 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.566 0.95 . . . . 144.31999999999999 113.566 -174.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' B' ' 5' ' ' PRO . 93.6 m95 -78.53 130.79 36.39 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.283 -0.872 . . . . 84.140000000000001 111.298 177.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.31 145.64 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-O 121.487 0.66 . . . . 102.76000000000001 111.81 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.453 ' CG ' HD22 ' B' ' 46' ' ' LEU . 55.0 p90 -178.01 156.59 1.06 Allowed 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.509 -0.769 . . . . 80.459999999999994 109.854 -170.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -110.64 167.37 10.28 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 118.623 -1.231 . . . . 125.47 111.977 168.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 51.5 m -67.57 96.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 77.109999999999999 109.829 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -99.32 13.41 33.25 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.295 -0.962 . . . . 66.540000000000006 113.452 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.31 147.86 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.964 0.165 . . . . 68.510000000000005 110.843 171.703 -62.358 -91.602 -98.375 113.217 2.038 114.851 -44.526 -73.444 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.445 HG13 HG23 ' B' ' 38' ' ' VAL . 24.3 pt -121.86 169.1 13.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.732 -0.84 . . . . 54.770000000000003 108.732 171.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -60.42 139.33 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.84 -0.344 . . . . 60.82 111.912 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.589 ' HG2' HG13 ' B' ' 38' ' ' VAL . 80.9 mttt -67.75 165.0 18.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 118.931 -1.108 . . . . 69.359999999999999 108.84 162.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.507 ' HD2' ' OE1' ' A' ' 68' ' ' GLU . 10.9 mtp85 -129.93 140.96 50.85 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.875 -0.73 . . . . 52.200000000000003 109.418 177.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' B' ' 113' ' ' VAL . 69.5 m -76.71 147.65 37.26 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 124.152 0.907 . . . . 58.659999999999997 113.23 177.486 -71.609 73.685 93.94 113.2 2.046 97.983 69.61 -179.389 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.659 ' O ' ' O ' ' B' ' 204' ' ' HOH . 2.2 mmp_? -50.91 142.16 12.23 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.857 -0.794 . . . . 116.72 108.857 164.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' B' ' 204' ' ' HOH . 66.4 t-80 -63.56 133.61 95.58 Favored Pre-proline 0 C--O 1.217 -0.605 0 C-N-CA 118.597 -1.241 . . . . 56.740000000000002 108.024 167.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -81.73 0.66 9.75 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 117.048 -1.501 . . . . 70.280000000000001 112.442 -169.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 -168.57 30.4 Favored Glycine 0 C--O 1.219 -0.826 0 N-CA-C 114.95 0.74 . . . . 72.859999999999999 114.95 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -88.03 156.12 19.46 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.698 0.761 . . . . 112.05 112.723 -173.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.55 HD13 ' HA3' ' B' ' 74' ' ' GLY . 0.0 OUTLIER -104.76 109.81 21.9 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.717 -1.216 . . . . 67.730000000000004 107.717 176.04 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.92 122.62 13.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.993 0.425 . . . . 148.22999999999999 110.18 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ASN . . . . . 0.727 ' O ' ' O ' ' B' ' 201' ' ' HOH . 75.7 m-20 68.96 11.02 8.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 114.594 -1.185 . . . . 78.359999999999999 111.748 -177.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . 0.55 ' HA3' HD13 ' B' ' 71' ' ' LEU . . . -135.1 -163.9 10.26 Favored Glycine 0 CA--C 1.499 -0.921 0 C-N-CA 119.835 -1.174 . . . . 81.140000000000001 113.726 -178.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.4 140.23 43.05 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.57 -0.815 . . . . 124.8 111.208 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.542 HG12 ' O ' ' B' ' 233' ' ' HOH . 89.4 t -106.98 114.89 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.374 -1.343 . . . . 60.469999999999999 107.374 173.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -103.41 117.41 34.4 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.322 0.49 . . . . 93.640000000000001 112.322 -175.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 32.2 mt -76.94 128.92 37.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 107.513 -1.292 . . . . 61.399999999999999 107.513 171.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 213' ' ' HOH . 42.5 mtmt -97.02 -38.9 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.233 0.457 . . . . 89.409999999999997 112.233 -178.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 40.2 p -129.54 -80.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.004 -0.739 . . . . 56.0 109.004 174.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 p30 -144.57 -159.04 0.94 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.663 -0.866 . . . . 58.780000000000001 108.663 173.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.593 HD13 ' O ' ' B' ' 204' ' ' HOH . 35.1 mt -116.64 24.72 11.09 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.401 0.619 . . . . 48.369999999999997 110.034 179.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.0 m -77.26 153.12 34.27 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 115.215 -0.902 . . . . 61.219999999999999 111.347 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -36.37 125.92 0.8 Allowed 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.037 0.835 . . . . 50.789999999999999 110.057 168.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.09 -18.43 57.37 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 115.82 1.088 . . . . 48.789999999999999 115.82 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 19.6 m -87.89 159.99 18.14 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.389 -1.065 . . . . 48.850000000000001 112.388 -174.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -121.11 142.55 49.75 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.646 -0.706 . . . . 68.299999999999997 109.953 -174.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 pt -112.49 158.21 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 120.611 -0.436 . . . . 57.560000000000002 110.021 169.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -120.1 146.78 45.62 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.523 0.564 . . . . 88.969999999999999 112.523 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -116.0 144.89 43.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.876 -1.057 . . . . 54.659999999999997 110.374 -176.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 66.6 p -148.21 157.65 43.62 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.108 -0.637 . . . . 63.369999999999997 109.704 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' B' ' 201' ' ' HOH . 24.4 m -113.52 141.53 47.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.277 -0.874 . . . . 74.099999999999994 112.342 -178.371 -79.431 -50.712 -86.901 121.644 2.043 101.162 -70.165 -63.396 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.3 m -63.81 159.27 19.83 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.187 -0.461 . . . . 78.859999999999999 111.438 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -34.73 -48.39 0.38 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 117.562 2.43 . . . . 134.77000000000001 117.562 -173.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.89 23.68 13.11 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 118.904 2.321 . . . . 91.019999999999996 118.904 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -139.17 157.53 45.77 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.772 1.397 . . . . 88.329999999999998 114.772 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.421 ' HD2' HD13 ' B' ' 124' ' ' ILE . 68.2 m-85 -106.68 137.08 45.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.851 -0.613 . . . . 115.62 109.746 174.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 tt -83.28 120.95 26.47 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.849 -0.797 . . . . 68.370000000000005 108.849 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mp -113.84 120.79 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 87.040000000000006 110.026 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 118.21 -152.88 17.34 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.797 -0.921 . . . . 63.270000000000003 110.797 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 40.9 t -92.69 144.21 25.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.426 -0.91 . . . . 63.189999999999998 111.813 -175.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 68.2 p -81.92 -13.08 58.03 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 113.297 0.851 . . . . 60.369999999999997 113.297 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 43.1 p -135.72 163.36 30.34 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 120.96 0.41 . . . . 53.490000000000002 111.632 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 15.8 t -150.52 157.6 43.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.213 -1.403 . . . . 49.039999999999999 107.213 170.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -135.26 136.07 41.39 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.885 -0.783 . . . . 71.890000000000001 108.885 -165.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 53.9 t -76.45 117.9 18.58 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.862 -1.162 . . . . 71.280000000000001 107.862 179.137 -179.389 69.61 93.94 97.983 2.046 113.2 73.685 -71.609 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -132.59 167.53 19.88 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.404 -0.591 . . . . 73.219999999999999 109.404 -172.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.43 129.94 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 123.913 0.758 . . . . 56.460000000000001 110.178 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -145.88 135.61 23.36 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 107.832 -1.173 . . . . 69.890000000000001 107.832 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ASP . . . . . 0.657 ' O ' ' O ' ' B' ' 206' ' ' HOH . 6.8 t0 53.72 -129.06 2.31 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 107.508 -1.293 . . . . 115.62 107.508 -176.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -107.84 10.99 28.5 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.94 -1.104 . . . . 122.09999999999999 108.812 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.15 -125.7 2.8 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.499 -0.858 . . . . 63.210000000000001 111.974 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.519 HG13 ' SG ' ' B' ' 65' ' ' CYS . 0.3 OUTLIER -147.36 150.88 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.16 -1.052 . . . . 53.899999999999999 108.16 -169.299 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -167.61 176.41 42.34 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.851 -0.531 . . . . 57.869999999999997 112.236 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' TRP . . . . . 0.533 ' HZ2' ' O ' ' B' ' 204' ' ' HOH . 96.4 m95 -87.49 132.63 33.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.237 0.828 . . . . 58.659999999999997 113.237 -174.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 24.0 p -64.82 -48.05 75.8 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 120.698 -0.401 . . . . 56.649999999999999 110.055 -171.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -108.85 145.52 31.86 Favored Pre-proline 0 C--N 1.332 -0.194 0 C-N-CA 123.59 0.756 . . . . 60.979999999999997 111.654 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -69.75 151.49 69.16 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 120.731 0.954 . . . . 56.539999999999999 110.401 172.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.447 HD13 ' O ' ' B' ' 257' ' ' HOH . 2.3 mt -49.63 138.25 16.9 Favored Pre-proline 0 C--O 1.24 0.593 0 O-C-N 123.801 0.688 . . . . 69.680000000000007 109.888 169.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.63 178.5 7.54 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.852 2.368 . . . . 60.049999999999997 109.43 174.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -115.52 151.35 35.0 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.098 -1.075 . . . . 104.28 108.098 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' B' ' 201' ' ' HOH . 74.8 m -109.68 120.38 42.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.103 -1.073 . . . . 83.079999999999998 108.103 171.769 -63.396 -70.165 -86.901 101.162 2.043 121.644 -50.712 -79.431 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.663 ' HB3' HD12 ' B' ' 124' ' ' ILE . 1.4 mt-10 -135.46 177.35 7.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.502 0.927 . . . . 114.42 113.502 -163.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' B' ' 123' ' ' GLU . 3.2 mp . . . . . 0 C--O 1.235 0.296 0 O-C-N 124.454 1.096 . . . . 95.579999999999998 110.332 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.408 ' O ' ' HG2' ' A' ' 82' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . 0.445 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . 0.4 ' O ' ' HD3' ' B' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . 0.842 ' O ' ' HA ' ' A' ' 64' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.727 ' O ' ' O ' ' B' ' 73' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.688 ' O ' ' O ' ' B' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . 0.676 ' O ' ' O ' ' B' ' 15' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . 0.659 ' O ' ' O ' ' B' ' 66' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . 0.669 ' O ' ' O ' ' B' ' 73' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . 0.657 ' O ' ' O ' ' B' ' 110' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . 0.661 ' O ' ' OG ' ' B' ' 0' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' B' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . 0.45 ' O ' ' HG2' ' B' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . 0.428 ' O ' ' HA ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . 0.542 ' O ' HG12 ' B' ' 76' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 247' ' ' HOH . . . . . 0.491 ' O ' ' HB2' ' B' ' 41' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 257' ' ' HOH . . . . . 0.507 ' O ' ' HG ' ' B' ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_