data_6lmq_residue ############################ # Computer software used # ############################ 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 6lmq _Structure_validation_residue.Date_analyzed 2020-09-25 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 ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 114.881 1.437 . . . . 78.07 114.881 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . 0.602 ' CB ' ' CD1' ' A' ' 60' ' ' ILE . 3.3 t -68.46 134.65 90.84 Favored Pre-proline 0 C--O 1.212 -0.882 0 N-CA-C 113.765 1.024 . . . . 66.69 113.765 -178.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -65.05 -30.98 56.06 Favored 'Trans proline' 0 C--N 1.32 -0.93 1 C-N-CA 127.211 5.274 . . . . 54.63 118.915 -172.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.3 10.17 59.64 Favored Glycine 0 C--O 1.187 -2.799 0 N-CA-C 117.462 1.745 . . . . 41.86 117.462 -177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . 0.602 ' CD1' ' CB ' ' A' ' 57' ' ' SER . 10.9 mt -97.39 128.01 49.1 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.077 0 CA-C-N 118.381 1.09 . . . . 50.06 112.562 -173.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -131.52 151.91 51.18 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.394 -0.595 . . . . 30.27 109.394 -175.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -120.42 134.16 55.31 Favored 'General case' 0 N--CA 1.413 -2.306 0 N-CA-C 109.689 -0.486 . . . . 43.76 109.689 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 tp -128.45 133.3 48.5 Favored 'General case' 0 C--O 1.181 -2.505 0 N-CA-C 112.632 0.605 . . . . 26.79 112.632 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -152.8 156.3 38.8 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 117.015 -1.469 . . . . 43.86 108.632 -174.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CAF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.28 175.43 5.7 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.429 -0.794 . . . . 38.14 110.118 165.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -126.63 141.09 51.97 Favored 'General case' 0 C--O 1.194 -1.865 0 O-C-N 124.265 0.978 . . . . 50.79 112.395 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 tp -150.91 135.65 17.27 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.84 -1.073 . . . . 43.39 109.036 171.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.07 34.86 24.65 Favored 'General case' 0 C--O 1.19 -2.057 0 C-N-CA 124.171 0.988 . . . . 43.0 111.835 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.51 11.73 84.93 Favored Glycine 0 C--O 1.193 -2.45 0 C-N-CA 120.462 -0.875 . . . . 39.41 114.742 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -124.25 162.76 23.04 Favored 'General case' 0 C--O 1.186 -2.261 0 N-CA-C 112.56 0.578 . . . . 51.08 112.56 -175.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.29 129.25 62.93 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.3 0 C-N-CA 124.216 1.006 . . . . 35.89 111.493 -175.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.76 122.44 69.78 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 0 N-CA-C 109.216 -0.661 . . . . 30.83 109.216 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.5 tt -92.59 125.57 37.28 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 121.75 -0.594 . . . . 34.17 109.544 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -119.06 124.32 72.95 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.934 0 CA-C-O 121.117 0.484 . . . . 29.38 111.916 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.68 133.35 54.75 Favored 'General case' 0 C--O 1.194 -1.86 0 N-CA-C 109.349 -0.612 . . . . 27.36 109.349 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.75 132.66 66.92 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.398 0 N-CA-C 113.562 0.949 . . . . 29.2 113.562 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -88.17 110.66 20.86 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 104.8 -2.296 . . . . 32.3 104.8 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.04 -42.93 96.82 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.264 0 N-CA-C 114.81 1.411 . . . . 40.93 114.81 -164.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.07 89.73 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 114.143 1.164 . . . . 38.98 114.143 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -96.84 -28.22 14.34 Favored 'General case' 0 C--O 1.181 -2.546 0 N-CA-C 116.831 2.159 . . . . 36.46 116.831 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.24 2.08 90.32 Favored Glycine 0 C--O 1.199 -2.059 0 O-C-N 121.697 -0.627 . . . . 32.01 114.582 -169.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -65.12 139.1 58.66 Favored 'General case' 0 C--O 1.184 -2.39 0 C-N-CA 123.26 0.624 . . . . 36.7 110.219 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -127.3 151.65 34.4 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 N-CA-C 118.145 2.646 . . . . 47.12 118.145 178.406 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -124.24 130.27 52.22 Favored 'General case' 0 C--O 1.193 -1.921 0 CA-C-N 113.693 -1.594 . . . . 46.8 108.992 164.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.81 147.8 41.27 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-O 120.829 0.347 . . . . 35.44 111.241 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . 0.283 4.8 pt-20 -152.29 158.48 42.83 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.899 1.814 . . . . 49.13 115.899 165.443 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.5 t -80.85 130.65 35.54 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.958 0 CA-C-N 113.983 -1.462 . . . . 33.63 107.604 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.1 145.83 36.65 Favored Pre-proline 0 C--O 1.186 -2.249 0 C-N-CA 123.972 0.909 . . . . 40.58 110.42 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -62.36 -37.84 57.84 Favored 'Trans proline' 0 CA--C 1.486 -1.899 0 C-N-CA 122.525 2.15 . . . . 48.2 112.883 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.82 159.42 43.85 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-O 119.269 -0.396 . . . . 48.79 110.286 175.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.99 67.79 10.33 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 124.103 0.961 . . . . 52.21 112.956 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.6 p -117.01 164.41 14.76 Favored 'General case' 0 C--O 1.196 -1.75 0 CA-C-O 122.018 0.913 . . . . 43.59 111.966 -174.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.7 93.2 Favored Glycine 0 C--O 1.172 -3.753 0 CA-C-N 113.553 -1.658 . . . . 35.15 111.691 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -60.73 -45.28 94.87 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 117.867 0.834 . . . . 54.16 111.091 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.34 -42.21 96.38 Favored 'General case' 0 C--O 1.174 -2.92 0 N-CA-C 112.287 0.477 . . . . 39.44 112.287 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.7 m -64.93 -42.0 95.05 Favored 'General case' 0 C--O 1.186 -2.265 0 C-N-CA 123.275 0.63 . . . . 34.53 112.187 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.58 88.47 Favored 'General case' 0 C--O 1.172 -3.006 0 N-CA-C 112.519 0.563 . . . . 25.47 112.519 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.15 -41.48 98.32 Favored 'General case' 0 C--O 1.187 -2.213 0 C-N-CA 123.485 0.714 . . . . 32.41 110.5 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.9 -46.03 91.15 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 112.451 0.538 . . . . 30.91 112.451 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.53 -42.0 98.18 Favored 'General case' 0 C--O 1.167 -3.257 0 O-C-N 123.689 0.618 . . . . 29.9 111.528 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -41.71 97.39 Favored 'General case' 0 C--O 1.166 -3.294 0 O-C-N 123.223 0.327 . . . . 32.69 111.3 176.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -64.06 -46.66 83.36 Favored 'General case' 0 C--O 1.172 -2.977 0 C-N-CA 119.481 -0.888 . . . . 46.39 111.458 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.65 -44.82 96.25 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 120.131 -0.627 . . . . 27.9 111.943 -175.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -32.74 73.41 Favored 'General case' 0 C--O 1.169 -3.158 0 C-N-CA 123.862 0.865 . . . . 27.94 111.716 -177.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.89 -23.26 75.88 Favored Glycine 0 C--O 1.176 -3.477 0 N-CA-C 114.608 0.603 . . . . 29.01 114.608 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -101.7 -32.04 10.5 Favored 'General case' 0 C--O 1.177 -2.72 0 N-CA-C 115.85 1.796 . . . . 32.55 115.85 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -132.9 162.34 58.12 Favored Pre-proline 0 C--O 1.183 -2.431 0 N-CA-C 108.327 -0.99 . . . . 38.43 108.327 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.43 113.52 3.55 Favored 'Trans proline' 0 CA--C 1.495 -1.465 0 N-CA-C 106.146 -2.29 . . . . 42.26 106.146 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.3 106.6 21.08 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.772 0 N-CA-C 107.759 -1.201 . . . . 35.03 107.759 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.14 -47.18 6.16 Favored 'General case' 0 C--O 1.187 -2.217 0 N-CA-C 114.472 1.286 . . . . 64.0 114.472 178.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.5 p -134.53 149.08 50.62 Favored 'General case' 0 C--O 1.192 -1.932 0 N-CA-C 112.771 0.656 . . . . 39.14 112.771 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 51.7 t -122.59 132.15 71.79 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.045 0 C-N-CA 123.047 0.539 . . . . 35.87 111.859 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -109.75 159.88 16.79 Favored 'General case' 0 C--O 1.192 -1.933 0 C-N-CA 123.921 0.888 . . . . 53.35 108.633 172.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.41 158.39 43.65 Favored 'General case' 0 C--O 1.179 -2.652 0 CA-C-N 115.963 -0.562 . . . . 31.18 110.34 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.34 1.78 55.87 Favored 'General case' 0 C--O 1.177 -2.75 0 N-CA-C 112.049 0.389 . . . . 47.72 112.049 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.27 92.47 2.65 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 123.519 0.728 . . . . 32.02 109.677 173.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.67 69.73 Favored Glycine 0 C--O 1.18 -3.264 0 CA-C-N 114.907 -1.042 . . . . 30.41 112.957 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 p -64.18 -17.86 63.92 Favored 'General case' 0 C--O 1.178 -2.704 0 N-CA-C 112.469 0.544 . . . . 32.37 112.469 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -61.85 -26.3 68.05 Favored 'General case' 0 C--O 1.17 -3.083 0 N-CA-C 107.479 -1.304 . . . . 38.28 107.479 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.48 12.38 35.23 Favored 'General case' 0 C--O 1.187 -2.236 0 N-CA-C 115.701 1.741 . . . . 36.51 115.701 -170.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 p -88.38 -17.03 31.4 Favored 'General case' 0 C--O 1.2 -1.519 0 N-CA-C 115.781 1.771 . . . . 36.24 115.781 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.0 p -65.92 147.26 53.64 Favored 'General case' 0 C--O 1.181 -2.534 0 N-CA-C 114.379 1.251 . . . . 36.8 114.379 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -61.16 -37.51 83.14 Favored 'General case' 0 C--O 1.183 -2.445 0 N-CA-C 106.484 -1.673 . . . . 37.28 106.484 -176.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -46.89 83.57 Favored 'General case' 0 C--O 1.188 -2.157 0 CA-C-N 113.307 -1.769 . . . . 41.07 114.094 -178.028 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.69 -39.92 87.27 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.278 0 N-CA-C 113.283 0.846 . . . . 27.79 113.283 171.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -40.39 96.96 Favored 'General case' 0 C--O 1.177 -2.746 0 CA-C-N 116.112 -0.495 . . . . 54.84 110.432 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.03 97.47 Favored 'General case' 0 C--O 1.193 -1.914 0 O-C-N 123.758 0.661 . . . . 28.28 111.485 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.29 84.04 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 118.331 -1.348 . . . . 25.43 109.046 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' CAF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -57.86 -52.53 65.11 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-O 120.81 0.338 . . . . 34.96 111.168 174.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -63.72 -43.84 95.37 Favored 'General case' 0 C--O 1.165 -3.351 0 N-CA-C 115.028 1.492 . . . . 27.75 115.028 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.02 -4.93 59.1 Favored 'General case' 0 C--O 1.184 -2.347 0 CA-C-N 118.531 0.605 . . . . 26.43 112.112 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.93 41.69 98.6 Favored Glycine 0 C--O 1.176 -3.516 0 N-CA-C 118.046 1.978 . . . . 31.23 118.046 -174.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.56 140.38 16.8 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.824 0 N-CA-C 108.786 -0.82 . . . . 34.25 108.786 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -109.89 147.83 32.67 Favored 'General case' 0 C--O 1.183 -2.396 0 O-C-N 121.566 -0.709 . . . . 64.77 111.711 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.07 148.96 34.03 Favored 'General case' 0 C--O 1.206 -1.19 0 N-CA-C 112.335 0.494 . . . . 63.19 112.335 171.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -112.62 105.42 13.6 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.698 -1.223 . . . . 76.63 107.698 168.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' PHE . . . . . 0.925 ' O ' ' CB ' ' A' ' 142' ' ' PRO . 0.1 OUTLIER -71.73 151.5 43.53 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 114.643 1.349 . . . . 86.83 114.643 -173.818 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -101.07 8.12 57.34 Favored Glycine 0 CA--C 1.499 -0.91 0 N-CA-C 105.618 -2.993 . . . . 91.72 105.618 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ILE . . . . . 0.719 ' N ' ' CA ' ' A' ' 142' ' ' PRO . 2.2 mt -66.92 -39.53 23.28 Favored Pre-proline 0 C--O 1.209 -1.029 0 CA-C-N 112.533 -1.834 . . . . 94.98 110.843 174.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PRO . . . . . 0.925 ' CB ' ' O ' ' A' ' 139' ' ' PHE . 23.1 Cg_exo . . . . . 0 CA--C 1.509 -0.768 0 C-N-CA 122.094 -2.044 . . . . 96.52 109.437 -3.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 115.675 1.731 . . . . 86.64 115.675 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ILE . . . . . 0.958 ' CG1' ' N ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -119.54 -153.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.651 -0.87 . . . . 85.97 108.651 -175.975 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' GLU . . . . . 0.958 ' N ' ' CG1' ' A' ' 151' ' ' ILE . 1.5 tp10 -161.28 -84.67 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 118.504 2.779 . . . . 84.36 118.504 168.161 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.5 m 63.45 30.27 15.35 Favored 'General case' 0 C--O 1.191 -1.994 0 CA-C-N 112.815 -1.993 . . . . 79.06 110.114 -171.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -34.28 77.41 Favored 'General case' 0 C--O 1.195 -1.777 0 CA-C-O 122.458 1.123 . . . . 79.7 110.074 167.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.71 -31.21 69.39 Favored 'General case' 0 N--CA 1.419 -1.992 0 C-N-CA 117.737 -1.585 . . . . 73.75 111.242 -179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.14 -46.46 70.77 Favored 'General case' 0 C--O 1.194 -1.849 0 N-CA-C 114.874 1.435 . . . . 73.56 114.874 167.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.72 -40.19 94.18 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 121.732 -0.605 . . . . 72.1 111.566 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.0 tp -63.66 -43.37 96.93 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.142 -0.688 . . . . 49.24 109.142 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.7 -34.38 77.74 Favored 'General case' 0 C--O 1.188 -2.145 0 CA-C-N 115.83 -0.623 . . . . 52.72 110.004 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -63.47 -51.04 67.33 Favored 'General case' 0 C--O 1.174 -2.915 0 C-N-CA 119.247 -0.981 . . . . 59.05 110.761 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.7 -36.64 72.16 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.893 0 CA-C-N 116.271 -0.422 . . . . 38.43 110.333 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.95 -39.31 84.63 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.102 0 C-N-CA 119.926 -0.71 . . . . 39.45 110.422 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.19 96.1 Favored Glycine 0 C--O 1.186 -2.859 0 N-CA-C 114.641 0.616 . . . . 40.46 114.641 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.45 -40.3 96.76 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 114.586 1.328 . . . . 50.42 114.586 176.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 21.3 m -96.22 0.23 10.51 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.327 0 N-CA-C 115.554 1.687 . . . . 43.81 115.554 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -60.01 -37.14 78.87 Favored 'General case' 0 C--O 1.193 -1.903 0 N-CA-C 113.671 0.989 . . . . 46.59 113.671 -166.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -71.31 -15.48 62.41 Favored 'General case' 0 C--O 1.196 -1.738 0 N-CA-C 113.108 0.781 . . . . 62.49 113.108 -178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.1 -10.3 59.48 Favored 'General case' 0 C--O 1.179 -2.642 0 N-CA-C 111.921 0.341 . . . . 60.08 111.921 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -144.79 153.32 41.52 Favored 'General case' 0 C--O 1.182 -2.476 0 N-CA-C 114.05 1.13 . . . . 39.33 114.05 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.01 -58.34 4.23 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.197 1.925 . . . . 58.64 116.197 173.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.78 141.53 29.61 Favored 'General case' 0 C--O 1.2 -1.549 0 C-N-CA 123.687 0.795 . . . . 34.58 112.971 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.72 -35.39 76.2 Favored 'General case' 0 C--O 1.183 -2.409 0 CA-C-N 115.756 -0.656 . . . . 33.1 110.972 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -61.49 -38.41 87.23 Favored 'General case' 0 C--O 1.187 -2.185 0 N-CA-C 109.515 -0.55 . . . . 40.55 109.515 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 20.7 m -64.03 -43.34 95.85 Favored 'General case' 0 C--O 1.193 -1.904 0 N-CA-C 112.285 0.476 . . . . 27.47 112.285 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.69 87.04 Favored 'General case' 0 C--O 1.184 -2.375 0 C-N-CA 123.033 0.533 . . . . 28.66 110.98 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.23 -44.95 99.7 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.885 0 CA-C-O 118.889 -0.577 . . . . 26.61 112.479 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.97 -39.59 93.71 Favored 'General case' 0 C--O 1.156 -3.828 0 C-N-CA 123.341 0.656 . . . . 30.57 110.255 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' MET . . . . . . . . . . . . . 86.7 mtp -59.35 -43.83 92.75 Favored 'General case' 0 C--O 1.184 -2.35 0 O-C-N 122.0 -0.438 . . . . 38.13 111.471 171.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.14 90.02 Favored 'General case' 0 C--O 1.191 -1.993 0 N-CA-C 114.218 1.192 . . . . 26.31 114.218 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.63 -44.18 98.42 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.257 0 CA-C-O 119.088 -0.482 . . . . 25.59 111.351 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -61.51 -49.71 75.64 Favored 'General case' 0 C--O 1.192 -1.966 0 C-N-CA 124.934 1.294 . . . . 30.98 108.851 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 17.7 mt -60.77 -45.73 97.31 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.377 0 N-CA-C 112.754 0.65 . . . . 34.58 112.754 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -63.37 -45.37 91.45 Favored 'General case' 0 C--O 1.175 -2.82 0 C-N-CA 119.609 -0.836 . . . . 35.94 112.559 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.43 -30.63 71.66 Favored 'General case' 0 C--O 1.177 -2.711 0 N-CA-C 114.723 1.379 . . . . 33.38 114.723 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -94.24 -7.33 42.38 Favored 'General case' 0 C--O 1.185 -2.304 0 N-CA-C 116.336 1.976 . . . . 58.86 116.336 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -71.02 109.12 4.92 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 107.948 -1.13 . . . . 59.76 107.948 -173.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' ARG . . . . . 0.8 ' O ' ' CB ' ' A' ' 188' ' ' LYS . 5.6 mtm105 -76.43 137.91 40.02 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 104.958 -2.238 . . . . 73.63 104.958 179.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' LYS . . . . . 0.8 ' CB ' ' O ' ' A' ' 187' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.416 -2.144 0 N-CA-C 107.863 -1.162 . . . . 75.24 107.863 -175.379 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.844 0 N-CA-C 115.756 1.062 . . . . 61.58 115.756 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -82.31 166.99 19.03 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 115.578 1.695 . . . . 76.58 115.578 173.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 94.4 p -79.49 161.69 25.89 Favored 'General case' 0 C--O 1.2 -1.538 0 C-N-CA 124.307 1.043 . . . . 49.46 110.128 162.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.7 77.12 Favored 'General case' 0 C--O 1.188 -2.137 0 N-CA-C 109.441 -0.577 . . . . 41.81 109.441 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -62.8 -39.74 98.35 Favored Glycine 0 C--O 1.207 -1.566 0 C-N-CA 120.044 -1.074 . . . . 39.17 113.279 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -66.65 -43.58 84.23 Favored 'General case' 0 C--O 1.183 -2.412 0 C-N-CA 122.849 0.46 . . . . 49.17 111.353 175.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 -63.36 -42.62 98.9 Favored 'General case' 0 C--O 1.195 -1.811 0 N-CA-C 115.391 1.626 . . . . 63.65 115.391 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 7.6 tt -63.53 -43.72 98.42 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.331 0 C-N-CA 118.838 -1.145 . . . . 35.33 112.891 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . 0.263 1.4 m -64.76 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.341 0 C-N-CA 116.872 -1.931 . . . . 39.62 113.885 176.092 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.45 -43.32 99.07 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.265 -0.272 . . . . 58.58 111.018 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 32.1 mt -63.06 -45.19 99.39 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 121.906 -0.496 . . . . 48.1 111.544 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ILE . . . . . . . . . . . . . 3.6 mm -66.67 -41.68 88.5 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.469 0 N-CA-C 114.542 1.312 . . . . 48.8 114.542 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.33 87.96 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 112.559 0.577 . . . . 55.72 112.559 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 51.8 m -60.71 -42.36 97.1 Favored 'General case' 0 C--O 1.191 -1.99 0 N-CA-C 108.226 -1.027 . . . . 61.74 108.226 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.11 -32.91 74.4 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.111 0.412 . . . . 74.87 112.111 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.55 -54.05 23.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-O 120.915 0.388 . . . . 69.33 111.336 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 N--CA 1.436 -1.152 0 CA-C-N 116.382 -0.372 . . . . 80.6 110.701 -176.464 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' 940 . . . . . 0.703 ' C31' ' C4 ' ' A' ' 304' ' ' 940 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 114.881 1.437 . . . . 78.07 114.881 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . 1.115 ' HB3' HD12 ' A' ' 60' ' ' ILE . 3.3 t -68.46 134.65 90.84 Favored Pre-proline 0 C--O 1.212 -0.882 0 N-CA-C 113.765 1.024 . . . . 66.69 113.765 -178.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . 0.72 ' HG2' ' OD1' ' A' ' 207' ' ' ASP . 51.2 Cg_exo -65.05 -30.98 56.06 Favored 'Trans proline' 0 C--N 1.32 -0.93 1 C-N-CA 127.211 5.274 . . . . 54.63 118.915 -172.39 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.3 10.17 59.64 Favored Glycine 0 C--O 1.187 -2.799 0 N-CA-C 117.462 1.745 . . . . 41.86 117.462 -177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . 1.115 HD12 ' HB3' ' A' ' 57' ' ' SER . 10.9 mt -97.39 128.01 49.1 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.077 0 CA-C-N 118.381 1.09 . . . . 50.06 112.562 -173.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -131.52 151.91 51.18 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.394 -0.595 . . . . 30.27 109.394 -175.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -120.42 134.16 55.31 Favored 'General case' 0 N--CA 1.413 -2.306 0 N-CA-C 109.689 -0.486 . . . . 43.76 109.689 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . 0.845 HD11 HD21 ' A' ' 74' ' ' LEU . 14.7 tp -128.45 133.3 48.5 Favored 'General case' 0 C--O 1.181 -2.505 0 N-CA-C 112.632 0.605 . . . . 26.79 112.632 -174.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -152.8 156.3 38.8 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 117.015 -1.469 . . . . 43.86 108.632 -174.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CAF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . 0.781 HG22 ' O2 ' ' A' ' 302' ' ' SO4 . 0.7 OUTLIER -118.28 175.43 5.7 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.429 -0.794 . . . . 38.14 110.118 165.918 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -126.63 141.09 51.97 Favored 'General case' 0 C--O 1.194 -1.865 0 O-C-N 124.265 0.978 . . . . 50.79 112.395 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD13 ' HE2' ' A' ' 159' ' ' LYS . 9.7 tp -150.91 135.65 17.27 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.84 -1.073 . . . . 43.39 109.036 171.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.07 34.86 24.65 Favored 'General case' 0 C--O 1.19 -2.057 0 C-N-CA 124.171 0.988 . . . . 43.0 111.835 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.51 11.73 84.93 Favored Glycine 0 C--O 1.193 -2.45 0 C-N-CA 120.462 -0.875 . . . . 39.41 114.742 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -124.25 162.76 23.04 Favored 'General case' 0 C--O 1.186 -2.261 0 N-CA-C 112.56 0.578 . . . . 51.08 112.56 -175.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.29 129.25 62.93 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.3 0 C-N-CA 124.216 1.006 . . . . 35.89 111.493 -175.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.76 122.44 69.78 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 0 N-CA-C 109.216 -0.661 . . . . 30.83 109.216 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 63' ' ' LEU . 5.5 tt -92.59 125.57 37.28 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 121.75 -0.594 . . . . 34.17 109.544 176.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -119.06 124.32 72.95 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.934 0 CA-C-O 121.117 0.484 . . . . 29.38 111.916 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -112.68 133.35 54.75 Favored 'General case' 0 C--O 1.194 -1.86 0 N-CA-C 109.349 -0.612 . . . . 27.36 109.349 173.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.75 132.66 66.92 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.398 0 N-CA-C 113.562 0.949 . . . . 29.2 113.562 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -88.17 110.66 20.86 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 104.8 -2.296 . . . . 32.3 104.8 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.04 -42.93 96.82 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.264 0 N-CA-C 114.81 1.411 . . . . 40.93 114.81 -164.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.07 89.73 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 114.143 1.164 . . . . 38.98 114.143 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -96.84 -28.22 14.34 Favored 'General case' 0 C--O 1.181 -2.546 0 N-CA-C 116.831 2.159 . . . . 36.46 116.831 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.24 2.08 90.32 Favored Glycine 0 C--O 1.199 -2.059 0 O-C-N 121.697 -0.627 . . . . 32.01 114.582 -169.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -65.12 139.1 58.66 Favored 'General case' 0 C--O 1.184 -2.39 0 C-N-CA 123.26 0.624 . . . . 36.7 110.219 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -127.3 151.65 34.4 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 N-CA-C 118.145 2.646 . . . . 47.12 118.145 178.406 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -124.24 130.27 52.22 Favored 'General case' 0 C--O 1.193 -1.921 0 CA-C-N 113.693 -1.594 . . . . 46.8 108.992 164.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.81 147.8 41.27 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-O 120.829 0.347 . . . . 35.44 111.241 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . 0.283 4.8 pt-20 -152.29 158.48 42.83 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.899 1.814 . . . . 49.13 115.899 165.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.5 t -80.85 130.65 35.54 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.958 0 CA-C-N 113.983 -1.462 . . . . 33.63 107.604 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.1 145.83 36.65 Favored Pre-proline 0 C--O 1.186 -2.249 0 C-N-CA 123.972 0.909 . . . . 40.58 110.42 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -62.36 -37.84 57.84 Favored 'Trans proline' 0 CA--C 1.486 -1.899 0 C-N-CA 122.525 2.15 . . . . 48.2 112.883 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.82 159.42 43.85 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-O 119.269 -0.396 . . . . 48.79 110.286 175.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.99 67.79 10.33 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 124.103 0.961 . . . . 52.21 112.956 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.6 p -117.01 164.41 14.76 Favored 'General case' 0 C--O 1.196 -1.75 0 CA-C-O 122.018 0.913 . . . . 43.59 111.966 -174.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.7 93.2 Favored Glycine 0 C--O 1.172 -3.753 0 CA-C-N 113.553 -1.658 . . . . 35.15 111.691 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -60.73 -45.28 94.87 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 117.867 0.834 . . . . 54.16 111.091 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.34 -42.21 96.38 Favored 'General case' 0 C--O 1.174 -2.92 0 N-CA-C 112.287 0.477 . . . . 39.44 112.287 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.7 m -64.93 -42.0 95.05 Favored 'General case' 0 C--O 1.186 -2.265 0 C-N-CA 123.275 0.63 . . . . 34.53 112.187 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HB2' HG23 ' A' ' 125' ' ' THR . . . -62.07 -46.58 88.47 Favored 'General case' 0 C--O 1.172 -3.006 0 N-CA-C 112.519 0.563 . . . . 25.47 112.519 177.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.15 -41.48 98.32 Favored 'General case' 0 C--O 1.187 -2.213 0 C-N-CA 123.485 0.714 . . . . 32.41 110.5 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.9 -46.03 91.15 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 112.451 0.538 . . . . 30.91 112.451 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.53 -42.0 98.18 Favored 'General case' 0 C--O 1.167 -3.257 0 O-C-N 123.689 0.618 . . . . 29.9 111.528 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . 0.747 HD13 ' HB1' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -61.27 -41.71 97.39 Favored 'General case' 0 C--O 1.166 -3.294 0 O-C-N 123.223 0.327 . . . . 32.69 111.3 176.679 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -64.06 -46.66 83.36 Favored 'General case' 0 C--O 1.172 -2.977 0 C-N-CA 119.481 -0.888 . . . . 46.39 111.458 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.65 -44.82 96.25 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 120.131 -0.627 . . . . 27.9 111.943 -175.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -32.74 73.41 Favored 'General case' 0 C--O 1.169 -3.158 0 C-N-CA 123.862 0.865 . . . . 27.94 111.716 -177.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.89 -23.26 75.88 Favored Glycine 0 C--O 1.176 -3.477 0 N-CA-C 114.608 0.603 . . . . 29.01 114.608 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -101.7 -32.04 10.5 Favored 'General case' 0 C--O 1.177 -2.72 0 N-CA-C 115.85 1.796 . . . . 32.55 115.85 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -132.9 162.34 58.12 Favored Pre-proline 0 C--O 1.183 -2.431 0 N-CA-C 108.327 -0.99 . . . . 38.43 108.327 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.43 113.52 3.55 Favored 'Trans proline' 0 CA--C 1.495 -1.465 0 N-CA-C 106.146 -2.29 . . . . 42.26 106.146 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.3 106.6 21.08 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.772 0 N-CA-C 107.759 -1.201 . . . . 35.03 107.759 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.14 -47.18 6.16 Favored 'General case' 0 C--O 1.187 -2.217 0 N-CA-C 114.472 1.286 . . . . 64.0 114.472 178.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.5 p -134.53 149.08 50.62 Favored 'General case' 0 C--O 1.192 -1.932 0 N-CA-C 112.771 0.656 . . . . 39.14 112.771 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 51.7 t -122.59 132.15 71.79 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.045 0 C-N-CA 123.047 0.539 . . . . 35.87 111.859 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -109.75 159.88 16.79 Favored 'General case' 0 C--O 1.192 -1.933 0 C-N-CA 123.921 0.888 . . . . 53.35 108.633 172.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.41 158.39 43.65 Favored 'General case' 0 C--O 1.179 -2.652 0 CA-C-N 115.963 -0.562 . . . . 31.18 110.34 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.34 1.78 55.87 Favored 'General case' 0 C--O 1.177 -2.75 0 N-CA-C 112.049 0.389 . . . . 47.72 112.049 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -138.27 92.47 2.65 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 123.519 0.728 . . . . 32.02 109.677 173.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.67 69.73 Favored Glycine 0 C--O 1.18 -3.264 0 CA-C-N 114.907 -1.042 . . . . 30.41 112.957 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 p -64.18 -17.86 63.92 Favored 'General case' 0 C--O 1.178 -2.704 0 N-CA-C 112.469 0.544 . . . . 32.37 112.469 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -61.85 -26.3 68.05 Favored 'General case' 0 C--O 1.17 -3.083 0 N-CA-C 107.479 -1.304 . . . . 38.28 107.479 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.48 12.38 35.23 Favored 'General case' 0 C--O 1.187 -2.236 0 N-CA-C 115.701 1.741 . . . . 36.51 115.701 -170.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 p -88.38 -17.03 31.4 Favored 'General case' 0 C--O 1.2 -1.519 0 N-CA-C 115.781 1.771 . . . . 36.24 115.781 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.0 p -65.92 147.26 53.64 Favored 'General case' 0 C--O 1.181 -2.534 0 N-CA-C 114.379 1.251 . . . . 36.8 114.379 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -61.16 -37.51 83.14 Favored 'General case' 0 C--O 1.183 -2.445 0 N-CA-C 106.484 -1.673 . . . . 37.28 106.484 -176.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -63.66 -46.89 83.57 Favored 'General case' 0 C--O 1.188 -2.157 0 CA-C-N 113.307 -1.769 . . . . 41.07 114.094 -178.028 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.69 -39.92 87.27 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.278 0 N-CA-C 113.283 0.846 . . . . 27.79 113.283 171.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -40.39 96.96 Favored 'General case' 0 C--O 1.177 -2.746 0 CA-C-N 116.112 -0.495 . . . . 54.84 110.432 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.03 97.47 Favored 'General case' 0 C--O 1.193 -1.914 0 O-C-N 123.758 0.661 . . . . 28.28 111.485 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ALA . . . . . 0.747 ' HB1' HD13 ' A' ' 102' ' ' LEU . . . -66.27 -44.29 84.04 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 118.331 -1.348 . . . . 25.43 109.046 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' CAF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -57.86 -52.53 65.11 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-O 120.81 0.338 . . . . 34.96 111.168 174.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -63.72 -43.84 95.37 Favored 'General case' 0 C--O 1.165 -3.351 0 N-CA-C 115.028 1.492 . . . . 27.75 115.028 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.02 -4.93 59.1 Favored 'General case' 0 C--O 1.184 -2.347 0 CA-C-N 118.531 0.605 . . . . 26.43 112.112 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.93 41.69 98.6 Favored Glycine 0 C--O 1.176 -3.516 0 N-CA-C 118.046 1.978 . . . . 31.23 118.046 -174.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.56 140.38 16.8 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.824 0 N-CA-C 108.786 -0.82 . . . . 34.25 108.786 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -109.89 147.83 32.67 Favored 'General case' 0 C--O 1.183 -2.396 0 O-C-N 121.566 -0.709 . . . . 64.77 111.711 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.07 148.96 34.03 Favored 'General case' 0 C--O 1.206 -1.19 0 N-CA-C 112.335 0.494 . . . . 63.19 112.335 171.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -112.62 105.42 13.6 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.698 -1.223 . . . . 76.63 107.698 168.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' PHE . . . . . 1.256 ' O ' ' HB3' ' A' ' 142' ' ' PRO . 0.1 OUTLIER -71.73 151.5 43.53 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 114.643 1.349 . . . . 86.83 114.643 -173.818 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -101.07 8.12 57.34 Favored Glycine 0 CA--C 1.499 -0.91 0 N-CA-C 105.618 -2.993 . . . . 91.72 105.618 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ILE . . . . . 0.935 ' N ' ' HA ' ' A' ' 142' ' ' PRO . 2.2 mt -66.92 -39.53 23.28 Favored Pre-proline 0 C--O 1.209 -1.029 0 CA-C-N 112.533 -1.834 . . . . 94.98 110.843 174.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PRO . . . . . 1.256 ' HB3' ' O ' ' A' ' 139' ' ' PHE . 23.1 Cg_exo . . . . . 0 CA--C 1.509 -0.768 0 C-N-CA 122.094 -2.044 . . . . 96.52 109.437 -3.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 115.675 1.731 . . . . 86.64 115.675 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ILE . . . . . 1.212 HG12 ' N ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -119.54 -153.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.651 -0.87 . . . . 85.97 108.651 -175.975 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 152' ' ' GLU . . . . . 1.212 ' N ' HG12 ' A' ' 151' ' ' ILE . 1.5 tp10 -161.28 -84.67 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 118.504 2.779 . . . . 84.36 118.504 168.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 153' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 24.5 m 63.45 30.27 15.35 Favored 'General case' 0 C--O 1.191 -1.994 0 CA-C-N 112.815 -1.993 . . . . 79.06 110.114 -171.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -34.28 77.41 Favored 'General case' 0 C--O 1.195 -1.777 0 CA-C-O 122.458 1.123 . . . . 79.7 110.074 167.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.71 -31.21 69.39 Favored 'General case' 0 N--CA 1.419 -1.992 0 C-N-CA 117.737 -1.585 . . . . 73.75 111.242 -179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.14 -46.46 70.77 Favored 'General case' 0 C--O 1.194 -1.849 0 N-CA-C 114.874 1.435 . . . . 73.56 114.874 167.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.72 -40.19 94.18 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 121.732 -0.605 . . . . 72.1 111.566 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 162' ' ' ILE . 35.0 tp -63.66 -43.37 96.93 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.142 -0.688 . . . . 49.24 109.142 178.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HE2' HD13 ' A' ' 68' ' ' LEU . 68.9 mttt -63.7 -34.38 77.74 Favored 'General case' 0 C--O 1.188 -2.145 0 CA-C-N 115.83 -0.623 . . . . 52.72 110.004 -178.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -63.47 -51.04 67.33 Favored 'General case' 0 C--O 1.174 -2.915 0 C-N-CA 119.247 -0.981 . . . . 59.05 110.761 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.7 -36.64 72.16 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.893 0 CA-C-N 116.271 -0.422 . . . . 38.43 110.333 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 158' ' ' LEU . 64.3 mt -62.95 -39.31 84.63 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.102 0 C-N-CA 119.926 -0.71 . . . . 39.45 110.422 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.19 96.1 Favored Glycine 0 C--O 1.186 -2.859 0 N-CA-C 114.641 0.616 . . . . 40.46 114.641 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.45 -40.3 96.76 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 114.586 1.328 . . . . 50.42 114.586 176.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 21.3 m -96.22 0.23 10.51 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.327 0 N-CA-C 115.554 1.687 . . . . 43.81 115.554 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -60.01 -37.14 78.87 Favored 'General case' 0 C--O 1.193 -1.903 0 N-CA-C 113.671 0.989 . . . . 46.59 113.671 -166.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -71.31 -15.48 62.41 Favored 'General case' 0 C--O 1.196 -1.738 0 N-CA-C 113.108 0.781 . . . . 62.49 113.108 -178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.1 -10.3 59.48 Favored 'General case' 0 C--O 1.179 -2.642 0 N-CA-C 111.921 0.341 . . . . 60.08 111.921 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -144.79 153.32 41.52 Favored 'General case' 0 C--O 1.182 -2.476 0 N-CA-C 114.05 1.13 . . . . 39.33 114.05 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.01 -58.34 4.23 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.197 1.925 . . . . 58.64 116.197 173.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.78 141.53 29.61 Favored 'General case' 0 C--O 1.2 -1.549 0 C-N-CA 123.687 0.795 . . . . 34.58 112.971 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.72 -35.39 76.2 Favored 'General case' 0 C--O 1.183 -2.409 0 CA-C-N 115.756 -0.656 . . . . 33.1 110.972 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' LYS . . . . . 0.779 ' NZ ' ' H1 ' ' A' ' 303' ' ' PGE . 47.9 pttt -61.49 -38.41 87.23 Favored 'General case' 0 C--O 1.187 -2.185 0 N-CA-C 109.515 -0.55 . . . . 40.55 109.515 -177.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 20.7 m -64.03 -43.34 95.85 Favored 'General case' 0 C--O 1.193 -1.904 0 N-CA-C 112.285 0.476 . . . . 27.47 112.285 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.69 87.04 Favored 'General case' 0 C--O 1.184 -2.375 0 C-N-CA 123.033 0.533 . . . . 28.66 110.98 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.23 -44.95 99.7 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.885 0 CA-C-O 118.889 -0.577 . . . . 26.61 112.479 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -64.97 -39.59 93.71 Favored 'General case' 0 C--O 1.156 -3.828 0 C-N-CA 123.341 0.656 . . . . 30.57 110.255 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' MET . . . . . . . . . . . . . 86.7 mtp -59.35 -43.83 92.75 Favored 'General case' 0 C--O 1.184 -2.35 0 O-C-N 122.0 -0.438 . . . . 38.13 111.471 171.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.14 90.02 Favored 'General case' 0 C--O 1.191 -1.993 0 N-CA-C 114.218 1.192 . . . . 26.31 114.218 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.63 -44.18 98.42 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.257 0 CA-C-O 119.088 -0.482 . . . . 25.59 111.351 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -61.51 -49.71 75.64 Favored 'General case' 0 C--O 1.192 -1.966 0 C-N-CA 124.934 1.294 . . . . 30.98 108.851 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 17.7 mt -60.77 -45.73 97.31 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.377 0 N-CA-C 112.754 0.65 . . . . 34.58 112.754 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -63.37 -45.37 91.45 Favored 'General case' 0 C--O 1.175 -2.82 0 C-N-CA 119.609 -0.836 . . . . 35.94 112.559 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.43 -30.63 71.66 Favored 'General case' 0 C--O 1.177 -2.711 0 N-CA-C 114.723 1.379 . . . . 33.38 114.723 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -94.24 -7.33 42.38 Favored 'General case' 0 C--O 1.185 -2.304 0 N-CA-C 116.336 1.976 . . . . 58.86 116.336 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -71.02 109.12 4.92 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 107.948 -1.13 . . . . 59.76 107.948 -173.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' ARG . . . . . 1.11 ' O ' ' HB2' ' A' ' 188' ' ' LYS . 5.6 mtm105 -76.43 137.91 40.02 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 104.958 -2.238 . . . . 73.63 104.958 179.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 188' ' ' LYS . . . . . 1.11 ' HB2' ' O ' ' A' ' 187' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.416 -2.144 0 N-CA-C 107.863 -1.162 . . . . 75.24 107.863 -175.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.844 0 N-CA-C 115.756 1.062 . . . . 61.58 115.756 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 194' ' ' TYR . . . . . 0.419 ' HB3' ' HB2' ' A' ' 198' ' ' GLU . 22.2 m-85 -82.31 166.99 19.03 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 115.578 1.695 . . . . 76.58 115.578 173.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 94.4 p -79.49 161.69 25.89 Favored 'General case' 0 C--O 1.2 -1.538 0 C-N-CA 124.307 1.043 . . . . 49.46 110.128 162.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.7 77.12 Favored 'General case' 0 C--O 1.188 -2.137 0 N-CA-C 109.441 -0.577 . . . . 41.81 109.441 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -62.8 -39.74 98.35 Favored Glycine 0 C--O 1.207 -1.566 0 C-N-CA 120.044 -1.074 . . . . 39.17 113.279 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 194' ' ' TYR . 74.9 mt-10 -66.65 -43.58 84.23 Favored 'General case' 0 C--O 1.183 -2.412 0 C-N-CA 122.849 0.46 . . . . 49.17 111.353 175.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 -63.36 -42.62 98.9 Favored 'General case' 0 C--O 1.195 -1.811 0 N-CA-C 115.391 1.626 . . . . 63.65 115.391 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ILE . . . . . 0.489 ' O ' HG12 ' A' ' 204' ' ' ILE . 7.6 tt -63.53 -43.72 98.42 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.331 0 C-N-CA 118.838 -1.145 . . . . 35.33 112.891 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . 0.263 1.4 m -64.76 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.341 0 C-N-CA 116.872 -1.931 . . . . 39.62 113.885 176.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.45 -43.32 99.07 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.265 -0.272 . . . . 58.58 111.018 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 32.1 mt -63.06 -45.19 99.39 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 121.906 -0.496 . . . . 48.1 111.544 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 200' ' ' ILE . 3.6 mm -66.67 -41.68 88.5 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.469 0 N-CA-C 114.542 1.312 . . . . 48.8 114.542 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.33 87.96 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 112.559 0.577 . . . . 55.72 112.559 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 51.8 m -60.71 -42.36 97.1 Favored 'General case' 0 C--O 1.191 -1.99 0 N-CA-C 108.226 -1.027 . . . . 61.74 108.226 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' ASP . . . . . 0.72 ' OD1' ' HG2' ' A' ' 58' ' ' PRO . 7.6 t70 -63.11 -32.91 74.4 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.111 0.412 . . . . 74.87 112.111 -178.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 208' ' ' ILE . . . . . 0.453 HG22 ' HG2' ' A' ' 209' ' ' GLN . 15.6 mt -68.55 -54.05 23.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-O 120.915 0.388 . . . . 69.33 111.336 -179.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 209' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 208' ' ' ILE . 4.1 mt-30 . . . . . 0 N--CA 1.436 -1.152 0 CA-C-N 116.382 -0.372 . . . . 80.6 110.701 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' SO4 . . . . . 0.781 ' O2 ' HG22 ' A' ' 66' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' PGE . . . . . 0.779 ' H1 ' ' NZ ' ' A' ' 173' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' 940 . . . . . 0.703 ' C4 ' ' C31' ' A' ' 304' ' ' 940 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 114.881 1.437 . . . . 78.07 114.881 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . 1.115 ' HB3' HD12 ' A' ' 60' ' ' ILE . 3.3 t -68.46 134.65 90.84 Favored Pre-proline 0 C--O 1.212 -0.882 0 N-CA-C 113.765 1.024 . . . . 66.69 113.765 -178.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.72 ' HG2' ' OD1' ' A' ' 207' ' ' ASP . 51.2 Cg_exo -65.05 -30.98 56.06 Favored 'Trans proline' 0 C--N 1.32 -0.93 1 C-N-CA 127.211 5.274 . . . . 54.63 118.915 -172.39 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.3 10.17 59.64 Favored Glycine 0 C--O 1.187 -2.799 0 N-CA-C 117.462 1.745 . . . . 41.86 117.462 -177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.115 HD12 ' HB3' ' A' ' 57' ' ' SER . 10.9 mt -97.39 128.01 49.1 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.077 0 CA-C-N 118.381 1.09 . . . . 50.06 112.562 -173.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -131.52 151.91 51.18 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.394 -0.595 . . . . 30.27 109.394 -175.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' OE1' ' HD2' ' A' ' 114' ' ' HIS . 1.7 tp60 -120.42 134.16 55.31 Favored 'General case' 0 N--CA 1.413 -2.306 0 N-CA-C 109.689 -0.486 . . . . 43.76 109.689 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.845 HD11 HD21 ' A' ' 74' ' ' LEU . 14.7 tp -128.45 133.3 48.5 Favored 'General case' 0 C--O 1.181 -2.505 0 N-CA-C 112.632 0.605 . . . . 26.79 112.632 -174.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -152.8 156.3 38.8 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 117.015 -1.469 . . . . 43.86 108.632 -174.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CAF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . 0.781 HG22 ' O2 ' ' A' ' 302' ' ' SO4 . 0.7 OUTLIER -118.28 175.43 5.7 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.429 -0.794 . . . . 38.14 110.118 165.918 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -126.63 141.09 51.97 Favored 'General case' 0 C--O 1.194 -1.865 0 O-C-N 124.265 0.978 . . . . 50.79 112.395 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD13 ' HE2' ' A' ' 159' ' ' LYS . 9.7 tp -150.91 135.65 17.27 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.84 -1.073 . . . . 43.39 109.036 171.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.07 34.86 24.65 Favored 'General case' 0 C--O 1.19 -2.057 0 C-N-CA 124.171 0.988 . . . . 43.0 111.835 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.51 11.73 84.93 Favored Glycine 0 C--O 1.193 -2.45 0 C-N-CA 120.462 -0.875 . . . . 39.41 114.742 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -124.25 162.76 23.04 Favored 'General case' 0 C--O 1.186 -2.261 0 N-CA-C 112.56 0.578 . . . . 51.08 112.56 -175.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.29 129.25 62.93 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.3 0 C-N-CA 124.216 1.006 . . . . 35.89 111.493 -175.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.76 122.44 69.78 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 0 N-CA-C 109.216 -0.661 . . . . 30.83 109.216 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 63' ' ' LEU . 5.5 tt -92.59 125.57 37.28 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 121.75 -0.594 . . . . 34.17 109.544 176.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -119.06 124.32 72.95 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.934 0 CA-C-O 121.117 0.484 . . . . 29.38 111.916 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -112.68 133.35 54.75 Favored 'General case' 0 C--O 1.194 -1.86 0 N-CA-C 109.349 -0.612 . . . . 27.36 109.349 173.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.75 132.66 66.92 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.398 0 N-CA-C 113.562 0.949 . . . . 29.2 113.562 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -88.17 110.66 20.86 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 104.8 -2.296 . . . . 32.3 104.8 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.04 -42.93 96.82 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.264 0 N-CA-C 114.81 1.411 . . . . 40.93 114.81 -164.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.07 89.73 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 114.143 1.164 . . . . 38.98 114.143 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -96.84 -28.22 14.34 Favored 'General case' 0 C--O 1.181 -2.546 0 N-CA-C 116.831 2.159 . . . . 36.46 116.831 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.519 ' O ' ' HE1' ' A' ' 183' ' ' HIS . . . 81.24 2.08 90.32 Favored Glycine 0 C--O 1.199 -2.059 0 O-C-N 121.697 -0.627 . . . . 32.01 114.582 -169.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -65.12 139.1 58.66 Favored 'General case' 0 C--O 1.184 -2.39 0 C-N-CA 123.26 0.624 . . . . 36.7 110.219 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.261 0.0 OUTLIER -127.3 151.65 34.4 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 N-CA-C 118.145 2.646 . . . . 47.12 118.145 178.406 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -124.24 130.27 52.22 Favored 'General case' 0 C--O 1.193 -1.921 0 CA-C-N 113.693 -1.594 . . . . 46.8 108.992 164.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.81 147.8 41.27 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-O 120.829 0.347 . . . . 35.44 111.241 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . 0.283 4.8 pt-20 -152.29 158.48 42.83 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.899 1.814 . . . . 49.13 115.899 165.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.5 t -80.85 130.65 35.54 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.958 0 CA-C-N 113.983 -1.462 . . . . 33.63 107.604 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.1 pt -117.1 145.83 36.65 Favored Pre-proline 0 C--O 1.186 -2.249 0 C-N-CA 123.972 0.909 . . . . 40.58 110.42 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -62.36 -37.84 57.84 Favored 'Trans proline' 0 CA--C 1.486 -1.899 0 C-N-CA 122.525 2.15 . . . . 48.2 112.883 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.82 159.42 43.85 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-O 119.269 -0.396 . . . . 48.79 110.286 175.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.99 67.79 10.33 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 124.103 0.961 . . . . 52.21 112.956 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.6 p -117.01 164.41 14.76 Favored 'General case' 0 C--O 1.196 -1.75 0 CA-C-O 122.018 0.913 . . . . 43.59 111.966 -174.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.7 93.2 Favored Glycine 0 C--O 1.172 -3.753 0 CA-C-N 113.553 -1.658 . . . . 35.15 111.691 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -60.73 -45.28 94.87 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 117.867 0.834 . . . . 54.16 111.091 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.34 -42.21 96.38 Favored 'General case' 0 C--O 1.174 -2.92 0 N-CA-C 112.287 0.477 . . . . 39.44 112.287 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 96.7 m -64.93 -42.0 95.05 Favored 'General case' 0 C--O 1.186 -2.265 0 C-N-CA 123.275 0.63 . . . . 34.53 112.187 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HB2' HG23 ' A' ' 125' ' ' THR . . . -62.07 -46.58 88.47 Favored 'General case' 0 C--O 1.172 -3.006 0 N-CA-C 112.519 0.563 . . . . 25.47 112.519 177.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.15 -41.48 98.32 Favored 'General case' 0 C--O 1.187 -2.213 0 C-N-CA 123.485 0.714 . . . . 32.41 110.5 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -61.9 -46.03 91.15 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 112.451 0.538 . . . . 30.91 112.451 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.53 -42.0 98.18 Favored 'General case' 0 C--O 1.167 -3.257 0 O-C-N 123.689 0.618 . . . . 29.9 111.528 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.747 HD13 ' HB1' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -61.27 -41.71 97.39 Favored 'General case' 0 C--O 1.166 -3.294 0 O-C-N 123.223 0.327 . . . . 32.69 111.3 176.679 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -64.06 -46.66 83.36 Favored 'General case' 0 C--O 1.172 -2.977 0 C-N-CA 119.481 -0.888 . . . . 46.39 111.458 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.65 -44.82 96.25 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 120.131 -0.627 . . . . 27.9 111.943 -175.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -32.74 73.41 Favored 'General case' 0 C--O 1.169 -3.158 0 C-N-CA 123.862 0.865 . . . . 27.94 111.716 -177.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.89 -23.26 75.88 Favored Glycine 0 C--O 1.176 -3.477 0 N-CA-C 114.608 0.603 . . . . 29.01 114.608 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -101.7 -32.04 10.5 Favored 'General case' 0 C--O 1.177 -2.72 0 N-CA-C 115.85 1.796 . . . . 32.55 115.85 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -132.9 162.34 58.12 Favored Pre-proline 0 C--O 1.183 -2.431 0 N-CA-C 108.327 -0.99 . . . . 38.43 108.327 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.43 113.52 3.55 Favored 'Trans proline' 0 CA--C 1.495 -1.465 0 N-CA-C 106.146 -2.29 . . . . 42.26 106.146 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.3 106.6 21.08 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.772 0 N-CA-C 107.759 -1.201 . . . . 35.03 107.759 176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.14 -47.18 6.16 Favored 'General case' 0 C--O 1.187 -2.217 0 N-CA-C 114.472 1.286 . . . . 64.0 114.472 178.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 63.5 p -134.53 149.08 50.62 Favored 'General case' 0 C--O 1.192 -1.932 0 N-CA-C 112.771 0.656 . . . . 39.14 112.771 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 51.7 t -122.59 132.15 71.79 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.045 0 C-N-CA 123.047 0.539 . . . . 35.87 111.859 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.407 ' HD2' ' OE1' ' A' ' 62' ' ' GLN . 80.9 t60 -109.75 159.88 16.79 Favored 'General case' 0 C--O 1.192 -1.933 0 C-N-CA 123.921 0.888 . . . . 53.35 108.633 172.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.41 158.39 43.65 Favored 'General case' 0 C--O 1.179 -2.652 0 CA-C-N 115.963 -0.562 . . . . 31.18 110.34 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.34 1.78 55.87 Favored 'General case' 0 C--O 1.177 -2.75 0 N-CA-C 112.049 0.389 . . . . 47.72 112.049 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.27 92.47 2.65 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 123.519 0.728 . . . . 32.02 109.677 173.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -59.77 -30.67 69.73 Favored Glycine 0 C--O 1.18 -3.264 0 CA-C-N 114.907 -1.042 . . . . 30.41 112.957 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 p -64.18 -17.86 63.92 Favored 'General case' 0 C--O 1.178 -2.704 0 N-CA-C 112.469 0.544 . . . . 32.37 112.469 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -61.85 -26.3 68.05 Favored 'General case' 0 C--O 1.17 -3.083 0 N-CA-C 107.479 -1.304 . . . . 38.28 107.479 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.48 12.38 35.23 Favored 'General case' 0 C--O 1.187 -2.236 0 N-CA-C 115.701 1.741 . . . . 36.51 115.701 -170.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 p -88.38 -17.03 31.4 Favored 'General case' 0 C--O 1.2 -1.519 0 N-CA-C 115.781 1.771 . . . . 36.24 115.781 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.0 p -65.92 147.26 53.64 Favored 'General case' 0 C--O 1.181 -2.534 0 N-CA-C 114.379 1.251 . . . . 36.8 114.379 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -61.16 -37.51 83.14 Favored 'General case' 0 C--O 1.183 -2.445 0 N-CA-C 106.484 -1.673 . . . . 37.28 106.484 -176.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -63.66 -46.89 83.57 Favored 'General case' 0 C--O 1.188 -2.157 0 CA-C-N 113.307 -1.769 . . . . 41.07 114.094 -178.028 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.69 -39.92 87.27 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.278 0 N-CA-C 113.283 0.846 . . . . 27.79 113.283 171.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -40.39 96.96 Favored 'General case' 0 C--O 1.177 -2.746 0 CA-C-N 116.112 -0.495 . . . . 54.84 110.432 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.03 97.47 Favored 'General case' 0 C--O 1.193 -1.914 0 O-C-N 123.758 0.661 . . . . 28.28 111.485 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.747 ' HB1' HD13 ' A' ' 102' ' ' LEU . . . -66.27 -44.29 84.04 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 118.331 -1.348 . . . . 25.43 109.046 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' CAF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -57.86 -52.53 65.11 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-O 120.81 0.338 . . . . 34.96 111.168 174.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -63.72 -43.84 95.37 Favored 'General case' 0 C--O 1.165 -3.351 0 N-CA-C 115.028 1.492 . . . . 27.75 115.028 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.02 -4.93 59.1 Favored 'General case' 0 C--O 1.184 -2.347 0 CA-C-N 118.531 0.605 . . . . 26.43 112.112 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.93 41.69 98.6 Favored Glycine 0 C--O 1.176 -3.516 0 N-CA-C 118.046 1.978 . . . . 31.23 118.046 -174.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.56 140.38 16.8 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.824 0 N-CA-C 108.786 -0.82 . . . . 34.25 108.786 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -109.89 147.83 32.67 Favored 'General case' 0 C--O 1.183 -2.396 0 O-C-N 121.566 -0.709 . . . . 64.77 111.711 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.07 148.96 34.03 Favored 'General case' 0 C--O 1.206 -1.19 0 N-CA-C 112.335 0.494 . . . . 63.19 112.335 171.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -112.62 105.42 13.6 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.698 -1.223 . . . . 76.63 107.698 168.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' PHE . . . . . 1.256 ' O ' ' HB3' ' A' ' 142' ' ' PRO . 0.1 OUTLIER -71.73 151.5 43.53 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 114.643 1.349 . . . . 86.83 114.643 -173.818 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -101.07 8.12 57.34 Favored Glycine 0 CA--C 1.499 -0.91 0 N-CA-C 105.618 -2.993 . . . . 91.72 105.618 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.935 ' N ' ' HA ' ' A' ' 142' ' ' PRO . 2.2 mt -66.92 -39.53 23.28 Favored Pre-proline 0 C--O 1.209 -1.029 0 CA-C-N 112.533 -1.834 . . . . 94.98 110.843 174.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PRO . . . . . 1.256 ' HB3' ' O ' ' A' ' 139' ' ' PHE . 23.1 Cg_exo . . . . . 0 CA--C 1.509 -0.768 0 C-N-CA 122.094 -2.044 . . . . 96.52 109.437 -3.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 115.675 1.731 . . . . 86.64 115.675 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ILE . . . . . 1.212 HG12 ' N ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -119.54 -153.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.651 -0.87 . . . . 85.97 108.651 -175.975 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' GLU . . . . . 1.212 ' N ' HG12 ' A' ' 151' ' ' ILE . 1.5 tp10 -161.28 -84.67 0.03 OUTLIER 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 118.504 2.779 . . . . 84.36 118.504 168.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 24.5 m 63.45 30.27 15.35 Favored 'General case' 0 C--O 1.191 -1.994 0 CA-C-N 112.815 -1.993 . . . . 79.06 110.114 -171.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -34.28 77.41 Favored 'General case' 0 C--O 1.195 -1.777 0 CA-C-O 122.458 1.123 . . . . 79.7 110.074 167.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.757 HD22 HG23 ' A' ' 66' ' ' THR . 3.0 m120 -59.71 -31.21 69.39 Favored 'General case' 0 N--CA 1.419 -1.992 0 C-N-CA 117.737 -1.585 . . . . 73.75 111.242 -179.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.14 -46.46 70.77 Favored 'General case' 0 C--O 1.194 -1.849 0 N-CA-C 114.874 1.435 . . . . 73.56 114.874 167.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.72 -40.19 94.18 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 121.732 -0.605 . . . . 72.1 111.566 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 162' ' ' ILE . 35.0 tp -63.66 -43.37 96.93 Favored 'General case' 0 CA--C 1.472 -2.024 0 N-CA-C 109.142 -0.688 . . . . 49.24 109.142 178.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HE2' HD13 ' A' ' 68' ' ' LEU . 68.9 mttt -63.7 -34.38 77.74 Favored 'General case' 0 C--O 1.188 -2.145 0 CA-C-N 115.83 -0.623 . . . . 52.72 110.004 -178.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -63.47 -51.04 67.33 Favored 'General case' 0 C--O 1.174 -2.915 0 C-N-CA 119.247 -0.981 . . . . 59.05 110.761 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.7 -36.64 72.16 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.893 0 CA-C-N 116.271 -0.422 . . . . 38.43 110.333 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 158' ' ' LEU . 64.3 mt -62.95 -39.31 84.63 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.102 0 C-N-CA 119.926 -0.71 . . . . 39.45 110.422 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.19 96.1 Favored Glycine 0 C--O 1.186 -2.859 0 N-CA-C 114.641 0.616 . . . . 40.46 114.641 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.45 -40.3 96.76 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 114.586 1.328 . . . . 50.42 114.586 176.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 21.3 m -96.22 0.23 10.51 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.327 0 N-CA-C 115.554 1.687 . . . . 43.81 115.554 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -60.01 -37.14 78.87 Favored 'General case' 0 C--O 1.193 -1.903 0 N-CA-C 113.671 0.989 . . . . 46.59 113.671 -166.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -71.31 -15.48 62.41 Favored 'General case' 0 C--O 1.196 -1.738 0 N-CA-C 113.108 0.781 . . . . 62.49 113.108 -178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.1 -10.3 59.48 Favored 'General case' 0 C--O 1.179 -2.642 0 N-CA-C 111.921 0.341 . . . . 60.08 111.921 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -144.79 153.32 41.52 Favored 'General case' 0 C--O 1.182 -2.476 0 N-CA-C 114.05 1.13 . . . . 39.33 114.05 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.01 -58.34 4.23 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.197 1.925 . . . . 58.64 116.197 173.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.78 141.53 29.61 Favored 'General case' 0 C--O 1.2 -1.549 0 C-N-CA 123.687 0.795 . . . . 34.58 112.971 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.72 -35.39 76.2 Favored 'General case' 0 C--O 1.183 -2.409 0 CA-C-N 115.756 -0.656 . . . . 33.1 110.972 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' LYS . . . . . 0.779 ' NZ ' ' H1 ' ' A' ' 303' ' ' PGE . 47.9 pttt -61.49 -38.41 87.23 Favored 'General case' 0 C--O 1.187 -2.185 0 N-CA-C 109.515 -0.55 . . . . 40.55 109.515 -177.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 20.7 m -64.03 -43.34 95.85 Favored 'General case' 0 C--O 1.193 -1.904 0 N-CA-C 112.285 0.476 . . . . 27.47 112.285 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.69 87.04 Favored 'General case' 0 C--O 1.184 -2.375 0 C-N-CA 123.033 0.533 . . . . 28.66 110.98 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.23 -44.95 99.7 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.885 0 CA-C-O 118.889 -0.577 . . . . 26.61 112.479 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.438 ' HA ' ' NE2' ' A' ' 177' ' ' GLN . 13.9 mm100 -64.97 -39.59 93.71 Favored 'General case' 0 C--O 1.156 -3.828 0 C-N-CA 123.341 0.656 . . . . 30.57 110.255 178.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' MET . . . . . . . . . . . . . 86.7 mtp -59.35 -43.83 92.75 Favored 'General case' 0 C--O 1.184 -2.35 0 O-C-N 122.0 -0.438 . . . . 38.13 111.471 171.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.14 90.02 Favored 'General case' 0 C--O 1.191 -1.993 0 N-CA-C 114.218 1.192 . . . . 26.31 114.218 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.63 -44.18 98.42 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.257 0 CA-C-O 119.088 -0.482 . . . . 25.59 111.351 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -61.51 -49.71 75.64 Favored 'General case' 0 C--O 1.192 -1.966 0 C-N-CA 124.934 1.294 . . . . 30.98 108.851 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 17.7 mt -60.77 -45.73 97.31 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.377 0 N-CA-C 112.754 0.65 . . . . 34.58 112.754 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HIS . . . . . 0.519 ' HE1' ' O ' ' A' ' 82' ' ' GLY . 38.3 t-80 -63.37 -45.37 91.45 Favored 'General case' 0 C--O 1.175 -2.82 0 C-N-CA 119.609 -0.836 . . . . 35.94 112.559 179.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.43 -30.63 71.66 Favored 'General case' 0 C--O 1.177 -2.711 0 N-CA-C 114.723 1.379 . . . . 33.38 114.723 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -94.24 -7.33 42.38 Favored 'General case' 0 C--O 1.185 -2.304 0 N-CA-C 116.336 1.976 . . . . 58.86 116.336 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -71.02 109.12 4.92 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 107.948 -1.13 . . . . 59.76 107.948 -173.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' ARG . . . . . 1.11 ' O ' ' HB2' ' A' ' 188' ' ' LYS . 5.6 mtm105 -76.43 137.91 40.02 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 104.958 -2.238 . . . . 73.63 104.958 179.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' LYS . . . . . 1.11 ' HB2' ' O ' ' A' ' 187' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.416 -2.144 0 N-CA-C 107.863 -1.162 . . . . 75.24 107.863 -175.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.844 0 N-CA-C 115.756 1.062 . . . . 61.58 115.756 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.419 ' HB3' ' HB2' ' A' ' 198' ' ' GLU . 22.2 m-85 -82.31 166.99 19.03 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 115.578 1.695 . . . . 76.58 115.578 173.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 94.4 p -79.49 161.69 25.89 Favored 'General case' 0 C--O 1.2 -1.538 0 C-N-CA 124.307 1.043 . . . . 49.46 110.128 162.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.7 77.12 Favored 'General case' 0 C--O 1.188 -2.137 0 N-CA-C 109.441 -0.577 . . . . 41.81 109.441 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -62.8 -39.74 98.35 Favored Glycine 0 C--O 1.207 -1.566 0 C-N-CA 120.044 -1.074 . . . . 39.17 113.279 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 194' ' ' TYR . 74.9 mt-10 -66.65 -43.58 84.23 Favored 'General case' 0 C--O 1.183 -2.412 0 C-N-CA 122.849 0.46 . . . . 49.17 111.353 175.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 -63.36 -42.62 98.9 Favored 'General case' 0 C--O 1.195 -1.811 0 N-CA-C 115.391 1.626 . . . . 63.65 115.391 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.489 ' O ' HG12 ' A' ' 204' ' ' ILE . 7.6 tt -63.53 -43.72 98.42 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.331 0 C-N-CA 118.838 -1.145 . . . . 35.33 112.891 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . 0.263 1.4 m -64.76 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.341 0 C-N-CA 116.872 -1.931 . . . . 39.62 113.885 176.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.45 -43.32 99.07 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.265 -0.272 . . . . 58.58 111.018 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 32.1 mt -63.06 -45.19 99.39 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 121.906 -0.496 . . . . 48.1 111.544 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 200' ' ' ILE . 3.6 mm -66.67 -41.68 88.5 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.469 0 N-CA-C 114.542 1.312 . . . . 48.8 114.542 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.33 87.96 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 112.559 0.577 . . . . 55.72 112.559 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' THR . . . . . . . . . . . . . 51.8 m -60.71 -42.36 97.1 Favored 'General case' 0 C--O 1.191 -1.99 0 N-CA-C 108.226 -1.027 . . . . 61.74 108.226 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' ASP . . . . . 0.72 ' OD1' ' HG2' ' A' ' 58' ' ' PRO . 7.6 t70 -63.11 -32.91 74.4 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.111 0.412 . . . . 74.87 112.111 -178.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' ILE . . . . . 0.453 HG22 ' HG2' ' A' ' 209' ' ' GLN . 15.6 mt -68.55 -54.05 23.78 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-O 120.915 0.388 . . . . 69.33 111.336 -179.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 208' ' ' ILE . 4.1 mt-30 . . . . . 0 N--CA 1.436 -1.152 0 CA-C-N 116.382 -0.372 . . . . 80.6 110.701 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' SO4 . . . . . 0.781 ' O2 ' HG22 ' A' ' 66' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' PGE . . . . . 0.779 ' H1 ' ' NZ ' ' A' ' 173' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' 940 . . . . . 0.703 ' C4 ' ' C31' ' A' ' 304' ' ' 940 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_