data_6wp8_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 6wp8 _Structure_validation_residue.Date_analyzed 2020-07-24 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 ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.718 0.294 . . . . 74.07 110.473 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -61.98 -46.78 87.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.869 -0.605 . . . . 55.98 111.334 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 404' ' ' HOH . 14.2 mm100 -67.56 -35.64 79.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.643 -0.423 . . . . 63.22 112.035 -179.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.99 77.63 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.092 -0.643 . . . . 51.12 110.975 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -71.65 -27.97 63.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.309 -0.556 . . . . 61.14 111.871 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.3 -44.77 94.05 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.78 -0.768 . . . . 51.31 110.764 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -70.51 -35.23 73.08 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.324 -0.951 . . . . 54.66 111.714 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.62 -43.55 91.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.037 0.446 . . . . 52.42 110.062 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.0 -37.84 94.53 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 120.511 -0.852 . . . . 50.55 112.948 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.92 -52.29 63.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 O-C-N 122.009 -0.701 . . . . 48.89 110.217 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.42 -45.25 89.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 O-C-N 122.055 -0.403 . . . . 56.08 110.858 -173.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -64.38 -46.14 84.63 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.956 -0.698 . . . . 57.99 111.444 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -65.81 -33.37 75.7 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.155 -0.618 . . . . 54.17 111.382 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.79 74.9 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.199 -0.6 . . . . 53.09 110.661 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -41.77 92.82 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.083 -0.647 . . . . 56.44 110.76 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.87 -44.82 94.19 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 120.183 -1.008 . . . . 52.05 112.595 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -60.55 -37.29 80.75 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 122.242 -0.563 . . . . 64.6 111.383 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.59 -40.99 89.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 C-N-CA 120.365 -0.534 . . . . 56.21 110.655 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -63.58 -52.05 62.68 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.865 -0.522 . . . . 57.13 111.24 -178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.87 -25.14 65.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.845 -0.742 . . . . 56.89 111.551 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.07 75.76 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 119.798 -1.191 . . . . 57.94 112.269 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.75 -33.07 68.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.414 -0.914 . . . . 81.78 111.534 -178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.28 -35.83 92.17 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 119.664 -1.255 . . . . 65.43 112.525 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.51 -39.67 81.15 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 122.334 -0.51 . . . . 63.3 111.148 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -69.19 -34.0 74.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.878 -0.329 . . . . 78.66 111.735 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.22 31.39 4.31 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.226 0.61 . . . . 77.78 111.92 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.91 145.49 55.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.751 . . . . 74.81 111.433 -168.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.19 -80.95 0.02 OUTLIER 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.004 -0.998 . . . . 83.23 109.936 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -113.82 -158.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.985 0.914 . . . . 69.08 108.697 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.39 -30.72 42.59 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.815 -0.754 . . . . 73.31 112.089 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' A' ' 405' ' ' HOH . 4.4 mtp180 -67.88 -39.72 83.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.67 -0.812 . . . . 67.75 111.085 -179.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -66.77 -36.21 81.89 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.747 -0.781 . . . . 58.03 111.227 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.19 -46.73 89.29 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.852 0.358 . . . . 79.5 111.085 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.72 -40.71 87.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.542 -0.463 . . . . 54.8 110.446 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.35 -43.19 67.44 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.066 -0.653 . . . . 56.09 111.42 -175.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.25 -33.16 75.17 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.031 -0.668 . . . . 55.23 111.841 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.2 m -72.88 -43.45 62.49 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.661 -0.415 . . . . 47.98 111.365 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.21 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.034 0.445 . . . . 47.99 110.749 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 85' ' ' ASP . 31.4 m120 -61.85 -29.32 70.1 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.254 -0.578 . . . . 55.18 111.939 -175.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -61.74 -48.67 79.67 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.324 -0.551 . . . . 49.6 111.112 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -71.21 -27.34 63.42 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.192 -0.603 . . . . 46.31 111.81 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.77 -46.36 96.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 120.318 -0.553 . . . . 48.63 109.994 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.91 -38.24 64.4 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.181 0.437 . . . . 54.14 112.181 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.89 -39.5 90.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.08 -0.648 . . . . 53.57 111.243 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.5 mt -61.63 -41.14 89.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.103 0.478 . . . . 52.6 110.115 173.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.77 78.41 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.487 -0.485 . . . . 49.72 111.352 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.23 82.53 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.072 -0.651 . . . . 45.64 111.4 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.9 74.11 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 119.878 -1.153 . . . . 47.66 112.657 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.11 -47.8 75.91 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 117.043 0.421 . . . . 66.16 111.118 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.23 -28.41 68.71 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.209 -0.996 . . . . 55.08 110.895 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.15 -38.87 92.63 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.147 -0.621 . . . . 51.8 110.912 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.09 -44.02 69.88 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.071 -0.652 . . . . 51.95 111.33 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 59.7 mtm -66.84 -41.03 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.337 -0.545 . . . . 58.14 111.319 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.83 -35.78 75.44 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.902 -0.719 . . . . 53.35 111.525 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.2 mt -83.06 10.75 7.41 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.709 0.633 . . . . 55.25 112.709 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.8 10.16 85.99 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 115.422 0.929 . . . . 51.99 115.422 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.81 148.16 22.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.474 1.137 . . . . 66.06 110.282 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.54 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 115.123 0.809 . . . . 60.79 115.123 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.34 129.29 75.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.832 -1.173 . . . . 60.96 107.832 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -143.8 141.97 30.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.496 -0.927 . . . . 67.53 108.496 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.41 118.3 19.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.76 -0.83 . . . . 77.06 108.76 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.0 mt -127.4 139.59 51.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.028 -1.101 . . . . 70.89 108.028 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 54.61 23.64 4.84 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.041 0.537 . . . . 74.35 112.053 -176.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 22.87 49.27 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 115.642 1.017 . . . . 68.29 115.642 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -148.24 133.82 9.47 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-N 118.628 1.214 . . . . 77.12 111.521 -176.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.55 119.78 7.25 Favored 'Trans proline' 0 N--CA 1.472 0.246 0 C-N-CA 120.525 0.817 . . . . 67.5 110.74 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.4 m -123.27 125.34 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.876 -0.787 . . . . 65.61 108.876 -174.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.72 77.43 5.59 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.074 -1.084 . . . . 63.45 108.074 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 63.0 p-90 -63.75 -28.09 69.64 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.167 -0.924 . . . . 60.41 111.647 -177.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.01 -14.52 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 112.275 0.472 . . . . 58.01 112.275 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -56.57 -30.98 63.77 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.392 -0.523 . . . . 66.43 111.034 171.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.28 -19.69 58.05 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.298 0.851 . . . . 51.25 113.298 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.86 -28.72 9.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 C-N-CA 118.919 -1.112 . . . . 62.37 110.441 172.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -56.69 -61.2 2.59 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.404 -0.591 . . . . 63.74 109.404 167.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . 0.514 ' O ' ' OG1' ' A' ' 79' ' ' THR . 51.2 m0 -63.71 -37.57 87.87 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.176 -0.465 . . . . 49.03 111.45 -171.138 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -62.4 -29.23 70.34 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.786 -0.766 . . . . 51.02 111.83 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -94.57 -36.12 11.95 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.257 0.836 . . . . 67.12 113.257 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 p -86.43 -39.62 16.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.09 0.774 . . . . 51.42 113.09 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 75' ' ' TRP . 42.3 p -62.36 -37.96 41.8 Favored Pre-proline 0 C--O 1.247 0.952 0 CA-C-O 117.576 -1.202 . . . . 49.45 113.72 -177.58 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -61.34 -32.73 89.81 Favored 'Trans proline' 0 C--O 1.236 0.394 0 CA-C-N 122.346 1.873 . . . . 47.63 112.471 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.14 -38.38 90.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 117.782 0.265 . . . . 51.34 111.047 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.96 -38.12 89.91 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.521 -0.471 . . . . 52.16 111.403 175.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.84 -33.15 68.22 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.697 -0.801 . . . . 48.05 111.536 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.18 -36.96 78.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.613 -0.835 . . . . 50.59 111.188 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 39' ' ' ASN . 22.7 m-20 -48.25 -51.6 24.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.09 0.471 . . . . 55.06 111.029 171.369 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.56 -47.05 83.15 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.461 -0.496 . . . . 51.18 111.006 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.0 p -71.87 -28.03 63.26 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.555 -0.858 . . . . 49.08 111.73 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -71.5 -50.67 29.13 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.929 -0.309 . . . . 58.57 110.921 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.11 -37.62 80.56 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.312 -0.555 . . . . 54.48 111.01 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.44 -16.89 74.92 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 115.365 0.906 . . . . 52.63 115.365 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . 0.498 ' NH1' ' O ' ' A' ' 406' ' ' HOH . 22.7 mtt85 54.87 55.93 7.24 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 122.405 1.097 . . . . 66.08 110.087 -173.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 150.69 31.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.461 -1.245 . . . . 53.97 111.402 -170.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -53.98 149.55 9.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.406 -0.816 . . . . 54.13 111.219 174.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.19 -46.75 97.83 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-O 118.282 -0.866 . . . . 54.52 112.889 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.18 -32.44 33.77 Favored 'Trans proline' 0 C--O 1.238 0.49 0 CA-C-N 121.388 1.531 . . . . 58.73 113.652 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.9 tp -74.1 -34.12 63.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.825 0.739 . . . . 53.51 112.067 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.4 m -67.37 -44.74 78.23 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.589 -0.845 . . . . 54.74 110.779 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.36 -36.26 90.57 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 119.93 -1.129 . . . . 49.62 112.744 177.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -65.16 -37.71 88.26 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 117.162 0.481 . . . . 53.96 111.346 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.25 -43.93 80.67 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.697 -0.401 . . . . 51.31 111.244 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.67 -40.45 72.97 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.37 -0.932 . . . . 57.56 111.036 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.78 97.32 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.158 -1.02 . . . . 48.46 112.883 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.03 -34.84 78.58 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.49 -0.884 . . . . 50.44 111.29 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -64.06 -46.89 82.36 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.921 -0.312 . . . . 47.28 111.441 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.06 97.81 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.562 -0.455 . . . . 49.12 111.09 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -57.55 -46.98 83.26 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.913 -0.315 . . . . 55.45 111.207 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 35.9 ttp -60.99 -36.86 80.59 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 121.01 -0.276 . . . . 48.52 111.362 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.1 mt -79.3 -42.5 25.63 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.363 -0.535 . . . . 45.82 111.773 -174.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -59.32 -51.56 71.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.474 -0.49 . . . . 47.15 110.361 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.9 p -65.84 -30.16 70.73 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.601 -0.84 . . . . 48.62 111.535 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.15 -41.09 95.12 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 119.836 -1.173 . . . . 45.29 112.066 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.23 -43.27 87.67 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 122.434 -0.451 . . . . 53.52 110.953 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.08 -39.77 86.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.47 -0.892 . . . . 48.83 110.212 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.86 85.74 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 121.771 -0.58 . . . . 52.47 111.25 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.2 m -65.82 -42.99 89.91 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.02 -0.672 . . . . 52.61 111.407 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.11 1.4 9.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 113.43 0.9 . . . . 54.18 113.43 -172.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.8 p -105.26 150.81 39.3 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 118.836 0.744 . . . . 59.12 110.434 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.72 166.77 24.99 Favored 'Trans proline' 0 C--N 1.332 -0.314 0 C-N-CA 120.781 0.988 . . . . 60.44 111.835 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.92 145.58 81.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 114.669 -1.151 . . . . 67.53 110.303 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -95.34 8.15 47.35 Favored 'Cis proline' 0 N--CA 1.465 -0.187 0 C-N-CA 126.186 -0.339 . . . . 57.62 112.846 1.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.3 tpp -55.61 -42.1 74.4 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.725 0.641 . . . . 57.7 111.153 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -31.07 65.54 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.018 0.377 . . . . 56.28 112.018 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -64.51 -34.33 77.96 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.035 -0.666 . . . . 73.96 111.654 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.3 mt -61.27 -52.34 62.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.3 0.572 . . . . 59.84 110.15 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -69.97 -22.29 63.17 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.4 -0.52 . . . . 58.78 112.204 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.45 -46.2 80.82 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.469 -0.493 . . . . 52.63 110.797 169.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.56 -34.94 73.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.582 -0.447 . . . . 52.3 110.679 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.31 -39.67 84.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 119.582 -0.847 . . . . 51.58 110.338 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 -37.92 64.14 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 121.866 -0.521 . . . . 56.17 111.714 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.24 -39.22 93.51 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.799 -0.36 . . . . 53.79 111.443 175.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.54 89.1 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.365 -0.534 . . . . 52.98 110.521 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.28 -35.2 80.29 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.657 -0.417 . . . . 53.96 111.466 173.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.27 -41.32 77.02 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.156 -0.618 . . . . 51.08 111.271 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.01 -27.98 69.49 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.283 -0.567 . . . . 60.21 111.464 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.61 83.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.944 -0.702 . . . . 53.09 110.827 173.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.49 -36.27 72.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 120.506 -0.478 . . . . 55.77 110.359 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.81 -45.28 91.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.09 0.471 . . . . 51.89 110.161 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -63.59 -47.97 79.3 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.805 -0.758 . . . . 78.59 110.878 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 43.2 mt -56.97 -39.23 74.22 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.49 -0.484 . . . . 53.12 111.494 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 97.2 mt -81.96 -31.81 31.05 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.889 -0.724 . . . . 57.65 112.11 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.14 36.74 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.761 -0.776 . . . . 56.38 112.232 -176.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -117.73 -75.11 0.01 OUTLIER Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 117.956 -1.498 . . . . 69.29 111.669 -176.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.77 -37.82 11.29 Favored 'Trans proline' 0 C--O 1.237 0.467 0 CA-C-N 121.762 1.665 . . . . 56.97 113.618 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -66.94 -48.71 67.76 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.07 -1.052 . . . . 51.48 111.175 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -66.03 -40.54 91.09 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.236 -0.586 . . . . 66.4 111.218 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 13.5 mt -63.9 -47.66 89.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.93 0.395 . . . . 64.2 110.56 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.55 80.85 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.369 -0.533 . . . . 62.76 111.93 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.09 -37.21 66.82 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.454 -0.498 . . . . 51.38 111.348 -176.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.31 -38.35 81.52 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.339 -0.544 . . . . 72.88 111.366 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -61.66 -38.2 86.88 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.322 -0.551 . . . . 86.49 111.144 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -75.66 -17.91 59.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.864 0.69 . . . . 59.89 112.864 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -131.86 77.23 72.61 Favored Pre-proline 0 C--O 1.238 0.5 0 N-CA-C 107.091 -1.448 . . . . 55.66 107.091 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.18 -40.18 16.12 Favored 'Trans proline' 0 C--O 1.238 0.502 0 N-CA-C 114.501 0.923 . . . . 62.5 114.501 -168.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.87 32.73 2.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.771 0.714 . . . . 73.14 112.504 -177.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.0 m -149.65 42.11 0.88 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.977 0.418 . . . . 64.03 110.2 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -73.49 -33.2 64.7 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.962 0.727 . . . . 66.17 112.962 -172.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.6 -29.11 70.13 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.722 -0.791 . . . . 67.51 111.357 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.02 83.51 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.659 -0.416 . . . . 55.77 111.138 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -72.7 -29.26 63.24 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.99 -0.684 . . . . 53.64 111.96 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -64.56 -40.69 96.02 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 119.464 -0.894 . . . . 74.88 110.94 171.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 43.4 m -66.4 -42.2 88.19 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.323 -0.551 . . . . 51.27 111.202 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.82 -51.73 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.868 0.366 . . . . 52.33 111.365 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 37.8 t -63.35 -44.56 99.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.684 -0.407 . . . . 53.73 110.415 -177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 27.2 m -63.4 -47.95 79.86 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.874 -0.516 . . . . 55.46 111.631 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.58 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.433 -0.507 . . . . 52.52 110.551 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 402' ' ' HOH . 10.1 t60 -62.79 -42.16 99.58 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.927 -0.483 . . . . 53.79 111.101 176.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' LEU . . . . . 0.537 ' O ' ' OG1' ' A' ' 171' ' ' THR . 2.5 mp -68.59 -44.1 75.07 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.916 -0.314 . . . . 49.88 111.576 -177.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.55 -36.02 69.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 118.672 -1.211 . . . . 53.41 110.5 -176.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.09 -44.15 66.26 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.756 -0.778 . . . . 50.06 111.521 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -71.74 -26.54 62.51 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.443 -0.903 . . . . 51.23 112.226 -176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 167' ' ' LEU . 16.5 m -65.21 -26.69 68.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.001 0.371 . . . . 50.54 112.001 179.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.59 -25.41 62.17 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 119.95 -0.7 . . . . 49.69 112.414 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -59.56 -51.15 83.21 Favored Pre-proline 0 C--O 1.246 0.87 0 CA-C-O 118.372 -0.823 . . . . 49.4 112.624 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -68.69 -18.1 42.41 Favored 'Trans proline' 0 C--O 1.238 0.501 0 CA-C-N 121.667 1.631 . . . . 50.87 113.369 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 32.8 mt -76.13 -44.19 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 118.655 0.661 . . . . 49.24 110.709 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.1 -40.6 83.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.968 0.414 . . . . 52.17 110.282 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' TRP . . . . . 0.436 ' O ' ' OG ' ' A' ' 180' ' ' SER . 26.5 t90 -61.25 -58.15 9.47 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 122.076 -0.39 . . . . 52.2 111.239 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 7.8 tp -64.77 -22.6 31.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 120.382 -0.527 . . . . 50.89 112.008 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 37.3 mt -86.41 -22.83 26.36 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.515 0.598 . . . . 53.61 112.302 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 177' ' ' TRP . 54.3 p -65.34 176.01 0.95 Allowed Pre-proline 0 C--O 1.237 0.445 0 C-N-CA 125.414 1.486 . . . . 54.26 109.791 176.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -55.61 -20.86 28.97 Favored 'Trans proline' 0 C--O 1.235 0.366 0 N-CA-C 114.292 0.843 . . . . 55.82 114.292 173.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -60.5 -18.81 54.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.251 0.463 . . . . 55.32 112.251 174.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -127.29 -103.79 1.26 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 117.825 0.284 . . . . 59.25 112.838 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -88.9 -2.79 58.76 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.483 0.92 . . . . 63.17 113.483 -174.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 57.67 45.68 18.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.404 0.621 . . . . 57.09 111.798 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.3 p -75.86 -25.46 56.2 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.872 -0.731 . . . . 55.83 112.557 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -142.18 165.64 26.87 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.784 -0.821 . . . . 54.34 108.784 176.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 31.6 p -94.69 -170.29 2.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.725 0.774 . . . . 63.78 109.957 -175.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -66.33 -36.09 82.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.922 -0.581 . . . . 67.24 111.696 -174.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -59.69 -47.89 88.73 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.727 -1.225 . . . . 56.03 112.341 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 47.1 m -66.08 -37.99 87.17 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.32 -0.518 . . . . 55.23 111.284 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -61.65 -37.29 83.5 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.861 -0.336 . . . . 57.88 111.241 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 42.0 m -67.77 -40.69 83.99 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.016 -0.673 . . . . 54.23 111.219 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 7.6 ttp -67.5 -39.43 85.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.793 -0.763 . . . . 68.85 111.555 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -61.22 -57.43 12.47 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.513 -0.475 . . . . 53.8 110.978 -178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -56.42 -38.63 71.83 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.957 -0.297 . . . . 54.17 111.573 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.2 m -63.36 -48.75 76.63 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.673 -0.411 . . . . 52.52 111.232 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.96 -30.93 64.21 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.155 -1.018 . . . . 50.83 111.678 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.31 -49.56 75.12 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.06 -0.656 . . . . 50.0 110.648 171.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.54 -39.96 77.77 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.652 -0.419 . . . . 55.76 111.39 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 55.8 mt -64.41 -43.89 97.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.577 -0.849 . . . . 54.05 110.212 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.53 95.81 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.042 -0.411 . . . . 52.51 111.914 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 26.5 p -84.87 -12.12 54.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.271 0.841 . . . . 51.49 113.271 -172.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -112.34 -63.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 118.646 0.657 . . . . 51.12 111.55 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.87 -51.73 57.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.252 -0.579 . . . . 54.19 110.339 176.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -60.7 -50.29 69.25 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 120.345 -0.931 . . . . 54.76 112.791 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.67 -29.04 67.43 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.481 -0.887 . . . . 53.68 111.582 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.04 99.0 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 119.791 -1.195 . . . . 53.2 112.328 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -61.52 -45.41 94.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.26 -0.553 . . . . 62.12 111.04 175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' LEU . . . . . 0.489 ' O ' ' OG1' ' A' ' 214' ' ' THR . 60.5 tp -63.97 -32.32 73.82 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.015 0.376 . . . . 50.21 112.015 -176.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 96.0 p -73.31 -37.82 66.06 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.622 -0.431 . . . . 53.71 111.315 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.79 -48.54 76.49 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.471 -0.492 . . . . 50.3 110.807 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -65.61 -24.77 67.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.752 -0.779 . . . . 70.1 111.843 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' A' ' 210' ' ' LEU . 12.5 m -69.21 -46.35 67.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.243 -0.583 . . . . 52.68 110.932 174.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 31.7 tp -57.79 -38.95 76.41 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.952 -0.699 . . . . 54.89 110.847 175.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -61.11 -45.3 95.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.292 -0.563 . . . . 75.76 111.018 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 20.4 m -60.61 -46.93 88.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.495 -0.482 . . . . 71.9 111.324 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 29.4 mt -63.78 -30.56 71.64 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.916 -0.714 . . . . 75.4 111.933 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -86.92 -37.34 17.72 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.54 0.57 . . . . 72.4 112.54 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.5 -21.37 64.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.473 -0.491 . . . . 89.02 111.539 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' ALA . . . . . . . . . . . . . . . -83.9 43.28 0.91 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.237 0.458 . . . . 84.25 112.237 167.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 121.203 0.525 . . . . 86.64 111.331 175.461 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . 0.599 ' O ' ' ND1' ' A' ' 166' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . 0.5 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . 0.507 ' O ' ' NH1' ' A' ' 31' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . 0.498 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.718 0.294 . . . . 74.07 110.473 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -61.98 -46.78 87.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.869 -0.605 . . . . 55.98 111.334 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.56 -35.64 79.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.643 -0.423 . . . . 63.22 112.035 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.99 77.63 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.092 -0.643 . . . . 51.12 110.975 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -71.65 -27.97 63.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.309 -0.556 . . . . 61.14 111.871 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.3 -44.77 94.05 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.78 -0.768 . . . . 51.31 110.764 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -70.51 -35.23 73.08 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.324 -0.951 . . . . 54.66 111.714 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.62 -43.55 91.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.037 0.446 . . . . 52.42 110.062 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.0 -37.84 94.53 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 120.511 -0.852 . . . . 50.55 112.948 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.92 -52.29 63.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 O-C-N 122.009 -0.701 . . . . 48.89 110.217 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.42 -45.25 89.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 O-C-N 122.055 -0.403 . . . . 56.08 110.858 -173.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -64.38 -46.14 84.63 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.956 -0.698 . . . . 57.99 111.444 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -65.81 -33.37 75.7 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.155 -0.618 . . . . 54.17 111.382 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.79 74.9 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.199 -0.6 . . . . 53.09 110.661 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -41.77 92.82 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.083 -0.647 . . . . 56.44 110.76 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.87 -44.82 94.19 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 120.183 -1.008 . . . . 52.05 112.595 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -60.55 -37.29 80.75 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 122.242 -0.563 . . . . 64.6 111.383 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.59 -40.99 89.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 C-N-CA 120.365 -0.534 . . . . 56.21 110.655 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -63.58 -52.05 62.68 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.865 -0.522 . . . . 57.13 111.24 -178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.87 -25.14 65.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.845 -0.742 . . . . 56.89 111.551 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.07 75.76 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 119.798 -1.191 . . . . 57.94 112.269 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.75 -33.07 68.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.414 -0.914 . . . . 81.78 111.534 -178.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.28 -35.83 92.17 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 119.664 -1.255 . . . . 65.43 112.525 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.51 -39.67 81.15 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 122.334 -0.51 . . . . 63.3 111.148 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -69.19 -34.0 74.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.878 -0.329 . . . . 78.66 111.735 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.22 31.39 4.31 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.226 0.61 . . . . 77.78 111.92 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.91 145.49 55.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.751 . . . . 74.81 111.433 -168.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 3.1 mptp? -61.19 -80.95 0.02 OUTLIER 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.004 -0.998 . . . . 83.23 109.936 178.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -113.82 -158.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.985 0.914 . . . . 69.08 108.697 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.39 -30.72 42.59 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.815 -0.754 . . . . 73.31 112.089 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' A' ' 405' ' ' HOH . 4.4 mtp180 -67.88 -39.72 83.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.67 -0.812 . . . . 67.75 111.085 -179.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' CG ' ' HD3' ' A' ' 28' ' ' LYS . 80.6 m95 -66.77 -36.21 81.89 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.747 -0.781 . . . . 58.03 111.227 172.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.19 -46.73 89.29 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.852 0.358 . . . . 79.5 111.085 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.72 -40.71 87.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.542 -0.463 . . . . 54.8 110.446 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.35 -43.19 67.44 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.066 -0.653 . . . . 56.09 111.42 -175.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.25 -33.16 75.17 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.031 -0.668 . . . . 55.23 111.841 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.2 m -72.88 -43.45 62.49 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.661 -0.415 . . . . 47.98 111.365 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.7 mt -55.21 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.034 0.445 . . . . 47.99 110.749 175.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' ILE . 31.4 m120 -61.85 -29.32 70.1 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.254 -0.578 . . . . 55.18 111.939 -175.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -61.74 -48.67 79.67 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.324 -0.551 . . . . 49.6 111.112 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -71.21 -27.34 63.42 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.192 -0.603 . . . . 46.31 111.81 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 38' ' ' LEU . 77.5 mt -60.77 -46.36 96.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 120.318 -0.553 . . . . 48.63 109.994 174.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.91 -38.24 64.4 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.181 0.437 . . . . 54.14 112.181 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.89 -39.5 90.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.08 -0.648 . . . . 53.57 111.243 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.5 mt -61.63 -41.14 89.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.103 0.478 . . . . 52.6 110.115 173.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.77 78.41 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.487 -0.485 . . . . 49.72 111.352 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.23 82.53 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.072 -0.651 . . . . 45.64 111.4 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.9 74.11 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 119.878 -1.153 . . . . 47.66 112.657 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . 1.0 ' HG ' ' HB2' ' A' ' 74' ' ' ASP . 1.8 tm? -65.11 -47.8 75.91 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 117.043 0.421 . . . . 66.16 111.118 177.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.23 -28.41 68.71 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.209 -0.996 . . . . 55.08 110.895 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.15 -38.87 92.63 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.147 -0.621 . . . . 51.8 110.912 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.09 -44.02 69.88 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.071 -0.652 . . . . 51.95 111.33 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 59.7 mtm -66.84 -41.03 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.337 -0.545 . . . . 58.14 111.319 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.83 -35.78 75.44 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.902 -0.719 . . . . 53.35 111.525 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.2 mt -83.06 10.75 7.41 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.709 0.633 . . . . 55.25 112.709 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.8 10.16 85.99 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 115.422 0.929 . . . . 51.99 115.422 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.81 148.16 22.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.474 1.137 . . . . 66.06 110.282 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.54 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 115.123 0.809 . . . . 60.79 115.123 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.34 129.29 75.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.832 -1.173 . . . . 60.96 107.832 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -143.8 141.97 30.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.496 -0.927 . . . . 67.53 108.496 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.41 118.3 19.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.76 -0.83 . . . . 77.06 108.76 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . 0.445 HD12 ' HB ' ' A' ' 67' ' ' THR . 4.0 mt -127.4 139.59 51.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.028 -1.101 . . . . 70.89 108.028 176.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 54.61 23.64 4.84 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.041 0.537 . . . . 74.35 112.053 -176.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 22.87 49.27 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 115.642 1.017 . . . . 68.29 115.642 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . 0.588 ' NH2' ' HB3' ' A' ' 181' ' ' PRO . 2.1 mmt85 -148.24 133.82 9.47 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-N 118.628 1.214 . . . . 77.12 111.521 -176.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.55 119.78 7.25 Favored 'Trans proline' 0 N--CA 1.472 0.246 0 C-N-CA 120.525 0.817 . . . . 67.5 110.74 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . 0.445 ' HB ' HD12 ' A' ' 62' ' ' ILE . 85.4 m -123.27 125.34 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.876 -0.787 . . . . 65.61 108.876 -174.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.72 77.43 5.59 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.074 -1.084 . . . . 63.45 108.074 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 63.0 p-90 -63.75 -28.09 69.64 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.167 -0.924 . . . . 60.41 111.647 -177.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 49' ' ' LEU . 9.2 p -66.01 -14.52 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 112.275 0.472 . . . . 58.01 112.275 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -56.57 -30.98 63.77 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.392 -0.523 . . . . 66.43 111.034 171.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.28 -19.69 58.05 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.298 0.851 . . . . 51.25 113.298 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 70' ' ' VAL . 2.7 m -81.86 -28.72 9.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 C-N-CA 118.919 -1.112 . . . . 62.37 110.441 172.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . 1.0 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 4.1 t0 -56.69 -61.2 2.59 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.404 -0.591 . . . . 63.74 109.404 167.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . 0.62 ' CD1' ' H14' ' A' ' 301' ' ' RET . 51.2 m0 -63.71 -37.57 87.87 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.176 -0.465 . . . . 49.03 111.45 -171.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -62.4 -29.23 70.34 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.786 -0.766 . . . . 51.02 111.83 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -94.57 -36.12 11.95 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.257 0.836 . . . . 67.12 113.257 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 p -86.43 -39.62 16.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.09 0.774 . . . . 51.42 113.09 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.3 p -62.36 -37.96 41.8 Favored Pre-proline 0 C--O 1.247 0.952 0 CA-C-O 117.576 -1.202 . . . . 49.45 113.72 -177.58 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' THR . 35.5 Cg_endo -61.34 -32.73 89.81 Favored 'Trans proline' 0 C--O 1.236 0.394 0 CA-C-N 122.346 1.873 . . . . 47.63 112.471 174.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.14 -38.38 90.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 117.782 0.265 . . . . 51.34 111.047 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 85' ' ' ASP . 30.2 mt -63.96 -38.12 89.91 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.521 -0.471 . . . . 52.16 111.403 175.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.84 -33.15 68.22 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.697 -0.801 . . . . 48.05 111.536 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.18 -36.96 78.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.613 -0.835 . . . . 50.59 111.188 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.7 m-20 -48.25 -51.6 24.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.09 0.471 . . . . 55.06 111.029 171.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . 0.564 HD23 HD13 ' A' ' 162' ' ' LEU . 16.7 mt -63.56 -47.05 83.15 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.461 -0.496 . . . . 51.18 111.006 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.0 p -71.87 -28.03 63.26 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.555 -0.858 . . . . 49.08 111.73 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -71.5 -50.67 29.13 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.929 -0.309 . . . . 58.57 110.921 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.11 -37.62 80.56 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.312 -0.555 . . . . 54.48 111.01 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.44 -16.89 74.92 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 115.365 0.906 . . . . 52.63 115.365 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.498 ' NH1' ' O ' ' A' ' 406' ' ' HOH . 22.7 mtt85 54.87 55.93 7.24 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 122.405 1.097 . . . . 66.08 110.087 -173.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 150.69 31.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.461 -1.245 . . . . 53.97 111.402 -170.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -53.98 149.55 9.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.406 -0.816 . . . . 54.13 111.219 174.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.19 -46.75 97.83 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-O 118.282 -0.866 . . . . 54.52 112.889 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.18 -32.44 33.77 Favored 'Trans proline' 0 C--O 1.238 0.49 0 CA-C-N 121.388 1.531 . . . . 58.73 113.652 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.9 tp -74.1 -34.12 63.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.825 0.739 . . . . 53.51 112.067 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.4 m -67.37 -44.74 78.23 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.589 -0.845 . . . . 54.74 110.779 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.36 -36.26 90.57 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 119.93 -1.129 . . . . 49.62 112.744 177.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -65.16 -37.71 88.26 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 117.162 0.481 . . . . 53.96 111.346 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.25 -43.93 80.67 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.697 -0.401 . . . . 51.31 111.244 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.67 -40.45 72.97 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.37 -0.932 . . . . 57.56 111.036 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.78 97.32 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.158 -1.02 . . . . 48.46 112.883 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.03 -34.84 78.58 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.49 -0.884 . . . . 50.44 111.29 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -64.06 -46.89 82.36 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.921 -0.312 . . . . 47.28 111.441 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.06 97.81 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.562 -0.455 . . . . 49.12 111.09 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -57.55 -46.98 83.26 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.913 -0.315 . . . . 55.45 111.207 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 35.9 ttp -60.99 -36.86 80.59 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 121.01 -0.276 . . . . 48.52 111.362 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.1 mt -79.3 -42.5 25.63 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.363 -0.535 . . . . 45.82 111.773 -174.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -59.32 -51.56 71.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.474 -0.49 . . . . 47.15 110.361 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.9 p -65.84 -30.16 70.73 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.601 -0.84 . . . . 48.62 111.535 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.15 -41.09 95.12 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 119.836 -1.173 . . . . 45.29 112.066 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.23 -43.27 87.67 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 122.434 -0.451 . . . . 53.52 110.953 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.08 -39.77 86.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.47 -0.892 . . . . 48.83 110.212 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.86 85.74 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 121.771 -0.58 . . . . 52.47 111.25 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.2 m -65.82 -42.99 89.91 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.02 -0.672 . . . . 52.61 111.407 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.11 1.4 9.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 113.43 0.9 . . . . 54.18 113.43 -172.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.8 p -105.26 150.81 39.3 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 118.836 0.744 . . . . 59.12 110.434 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.72 166.77 24.99 Favored 'Trans proline' 0 C--N 1.332 -0.314 0 C-N-CA 120.781 0.988 . . . . 60.44 111.835 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.92 145.58 81.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 114.669 -1.151 . . . . 67.53 110.303 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -95.34 8.15 47.35 Favored 'Cis proline' 0 N--CA 1.465 -0.187 0 C-N-CA 126.186 -0.339 . . . . 57.62 112.846 1.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.3 tpp -55.61 -42.1 74.4 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.725 0.641 . . . . 57.7 111.153 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -31.07 65.54 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.018 0.377 . . . . 56.28 112.018 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -64.51 -34.33 77.96 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.035 -0.666 . . . . 73.96 111.654 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.3 mt -61.27 -52.34 62.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.3 0.572 . . . . 59.84 110.15 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -69.97 -22.29 63.17 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.4 -0.52 . . . . 58.78 112.204 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.45 -46.2 80.82 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.469 -0.493 . . . . 52.63 110.797 169.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.56 -34.94 73.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.582 -0.447 . . . . 52.3 110.679 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.31 -39.67 84.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 119.582 -0.847 . . . . 51.58 110.338 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 -37.92 64.14 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 121.866 -0.521 . . . . 56.17 111.714 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.24 -39.22 93.51 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.799 -0.36 . . . . 53.79 111.443 175.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.54 89.1 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.365 -0.534 . . . . 52.98 110.521 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.28 -35.2 80.29 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.657 -0.417 . . . . 53.96 111.466 173.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.27 -41.32 77.02 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.156 -0.618 . . . . 51.08 111.271 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.01 -27.98 69.49 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.283 -0.567 . . . . 60.21 111.464 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.61 83.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.944 -0.702 . . . . 53.09 110.827 173.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.49 -36.27 72.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 120.506 -0.478 . . . . 55.77 110.359 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.81 -45.28 91.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.09 0.471 . . . . 51.89 110.161 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -63.59 -47.97 79.3 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.805 -0.758 . . . . 78.59 110.878 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 43.2 mt -56.97 -39.23 74.22 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.49 -0.484 . . . . 53.12 111.494 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 144' ' ' TYR . 97.2 mt -81.96 -31.81 31.05 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.889 -0.724 . . . . 57.65 112.11 -178.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.14 36.74 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.761 -0.776 . . . . 56.38 112.232 -176.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -117.73 -75.11 0.01 OUTLIER Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 117.956 -1.498 . . . . 69.29 111.669 -176.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.77 -37.82 11.29 Favored 'Trans proline' 0 C--O 1.237 0.467 0 CA-C-N 121.762 1.665 . . . . 56.97 113.618 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 140' ' ' LEU . 30.4 t80 -66.94 -48.71 67.76 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.07 -1.052 . . . . 51.48 111.175 -179.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -66.03 -40.54 91.09 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.236 -0.586 . . . . 66.4 111.218 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 13.5 mt -63.9 -47.66 89.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.93 0.395 . . . . 64.2 110.56 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.55 80.85 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.369 -0.533 . . . . 62.76 111.93 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.09 -37.21 66.82 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.454 -0.498 . . . . 51.38 111.348 -176.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.31 -38.35 81.52 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.339 -0.544 . . . . 72.88 111.366 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -61.66 -38.2 86.88 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.322 -0.551 . . . . 86.49 111.144 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -75.66 -17.91 59.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.864 0.69 . . . . 59.89 112.864 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -131.86 77.23 72.61 Favored Pre-proline 0 C--O 1.238 0.5 0 N-CA-C 107.091 -1.448 . . . . 55.66 107.091 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.18 -40.18 16.12 Favored 'Trans proline' 0 C--O 1.238 0.502 0 N-CA-C 114.501 0.923 . . . . 62.5 114.501 -168.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.87 32.73 2.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.771 0.714 . . . . 73.14 112.504 -177.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.0 m -149.65 42.11 0.88 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.977 0.418 . . . . 64.03 110.2 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -73.49 -33.2 64.7 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.962 0.727 . . . . 66.17 112.962 -172.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -64.6 -29.11 70.13 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.722 -0.791 . . . . 67.51 111.357 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.02 83.51 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.659 -0.416 . . . . 55.77 111.138 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -72.7 -29.26 63.24 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.99 -0.684 . . . . 53.64 111.96 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -64.56 -40.69 96.02 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 119.464 -0.894 . . . . 74.88 110.94 171.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 43.4 m -66.4 -42.2 88.19 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.323 -0.551 . . . . 51.27 111.202 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' LEU . . . . . 0.564 HD13 HD23 ' A' ' 86' ' ' LEU . 3.2 mt -58.82 -51.73 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.868 0.366 . . . . 52.33 111.365 -179.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 37.8 t -63.35 -44.56 99.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.684 -0.407 . . . . 53.73 110.415 -177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 27.2 m -63.4 -47.95 79.86 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.874 -0.516 . . . . 55.46 111.631 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.58 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.433 -0.507 . . . . 52.52 110.551 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HIS . . . . . 1.039 ' HD2' ' O ' ' A' ' 402' ' ' HOH . 7.3 t-80 -62.79 -42.16 99.58 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.927 -0.483 . . . . 53.79 111.101 176.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.59 -44.1 75.07 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.916 -0.314 . . . . 49.88 111.576 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.55 -36.02 69.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 118.672 -1.211 . . . . 53.41 110.5 -176.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.09 -44.15 66.26 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.756 -0.778 . . . . 50.06 111.521 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -71.74 -26.54 62.51 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.443 -0.903 . . . . 51.23 112.226 -176.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 16.5 m -65.21 -26.69 68.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.001 0.371 . . . . 50.54 112.001 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.59 -25.41 62.17 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 119.95 -0.7 . . . . 49.69 112.414 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -59.56 -51.15 83.21 Favored Pre-proline 0 C--O 1.246 0.87 0 CA-C-O 118.372 -0.823 . . . . 49.4 112.624 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -68.69 -18.1 42.41 Favored 'Trans proline' 0 C--O 1.238 0.501 0 CA-C-N 121.667 1.631 . . . . 50.87 113.369 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 32.8 mt -76.13 -44.19 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 118.655 0.661 . . . . 49.24 110.709 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.1 -40.6 83.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.968 0.414 . . . . 52.17 110.282 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -61.25 -58.15 9.47 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 122.076 -0.39 . . . . 52.2 111.239 -178.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 7.8 tp -64.77 -22.6 31.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 120.382 -0.527 . . . . 50.89 112.008 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 37.3 mt -86.41 -22.83 26.36 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.515 0.598 . . . . 53.61 112.302 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 54.3 p -65.34 176.01 0.95 Allowed Pre-proline 0 C--O 1.237 0.445 0 C-N-CA 125.414 1.486 . . . . 54.26 109.791 176.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' PRO . . . . . 0.588 ' HB3' ' NH2' ' A' ' 65' ' ' ARG . 70.3 Cg_exo -55.61 -20.86 28.97 Favored 'Trans proline' 0 C--O 1.235 0.366 0 N-CA-C 114.292 0.843 . . . . 55.82 114.292 173.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -60.5 -18.81 54.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.251 0.463 . . . . 55.32 112.251 174.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -127.29 -103.79 1.26 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 117.825 0.284 . . . . 59.25 112.838 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -88.9 -2.79 58.76 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.483 0.92 . . . . 63.17 113.483 -174.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 57.67 45.68 18.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.404 0.621 . . . . 57.09 111.798 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.3 p -75.86 -25.46 56.2 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.872 -0.731 . . . . 55.83 112.557 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -142.18 165.64 26.87 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.784 -0.821 . . . . 54.34 108.784 176.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 31.6 p -94.69 -170.29 2.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.725 0.774 . . . . 63.78 109.957 -175.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -66.33 -36.09 82.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.922 -0.581 . . . . 67.24 111.696 -174.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -59.69 -47.89 88.73 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.727 -1.225 . . . . 56.03 112.341 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 47.1 m -66.08 -37.99 87.17 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.32 -0.518 . . . . 55.23 111.284 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -61.65 -37.29 83.5 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.861 -0.336 . . . . 57.88 111.241 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 42.0 m -67.77 -40.69 83.99 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.016 -0.673 . . . . 54.23 111.219 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 7.6 ttp -67.5 -39.43 85.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.793 -0.763 . . . . 68.85 111.555 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -61.22 -57.43 12.47 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.513 -0.475 . . . . 53.8 110.978 -178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -56.42 -38.63 71.83 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.957 -0.297 . . . . 54.17 111.573 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.2 m -63.36 -48.75 76.63 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.673 -0.411 . . . . 52.52 111.232 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.96 -30.93 64.21 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.155 -1.018 . . . . 50.83 111.678 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.31 -49.56 75.12 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.06 -0.656 . . . . 50.0 110.648 171.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.54 -39.96 77.77 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.652 -0.419 . . . . 55.76 111.39 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 55.8 mt -64.41 -43.89 97.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.577 -0.849 . . . . 54.05 110.212 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.53 95.81 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.042 -0.411 . . . . 52.51 111.914 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 26.5 p -84.87 -12.12 54.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.271 0.841 . . . . 51.49 113.271 -172.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -112.34 -63.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 118.646 0.657 . . . . 51.12 111.55 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.87 -51.73 57.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.252 -0.579 . . . . 54.19 110.339 176.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -60.7 -50.29 69.25 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 120.345 -0.931 . . . . 54.76 112.791 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.67 -29.04 67.43 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.481 -0.887 . . . . 53.68 111.582 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.04 99.0 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 119.791 -1.195 . . . . 53.2 112.328 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -61.52 -45.41 94.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.26 -0.553 . . . . 62.12 111.04 175.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.97 -32.32 73.82 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.015 0.376 . . . . 50.21 112.015 -176.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 96.0 p -73.31 -37.82 66.06 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.622 -0.431 . . . . 53.71 111.315 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.79 -48.54 76.49 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.471 -0.492 . . . . 50.3 110.807 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -65.61 -24.77 67.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.752 -0.779 . . . . 70.1 111.843 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 218' ' ' LEU . 12.5 m -69.21 -46.35 67.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.243 -0.583 . . . . 52.68 110.932 174.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 31.7 tp -57.79 -38.95 76.41 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.952 -0.699 . . . . 54.89 110.847 175.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -61.11 -45.3 95.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.292 -0.563 . . . . 75.76 111.018 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 20.4 m -60.61 -46.93 88.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.495 -0.482 . . . . 71.9 111.324 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 214' ' ' THR . 29.4 mt -63.78 -30.56 71.64 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.916 -0.714 . . . . 75.4 111.933 179.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -86.92 -37.34 17.72 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.54 0.57 . . . . 72.4 112.54 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.5 -21.37 64.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.473 -0.491 . . . . 89.02 111.539 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 221' ' ' ALA . . . . . . . . . . . . . . . -83.9 43.28 0.91 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.237 0.458 . . . . 84.25 112.237 167.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 121.203 0.525 . . . . 86.64 111.331 175.461 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' RET . . . . . 0.677 ' H8 ' H161 ' A' ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . 1.039 ' O ' ' HD2' ' A' ' 166' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.507 ' O ' ' NH1' ' A' ' 31' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . 0.498 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.718 0.294 . . . . 74.07 110.473 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -61.98 -46.78 87.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.869 -0.605 . . . . 55.98 111.334 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.56 -35.64 79.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.643 -0.423 . . . . 63.22 112.035 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.99 77.63 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.092 -0.643 . . . . 51.12 110.975 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -71.65 -27.97 63.44 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.309 -0.556 . . . . 61.14 111.871 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.8 mt -63.3 -44.77 94.05 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.78 -0.768 . . . . 51.31 110.764 173.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -70.51 -35.23 73.08 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.324 -0.951 . . . . 54.66 111.714 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.62 -43.55 91.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.037 0.446 . . . . 52.42 110.062 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.0 -37.84 94.53 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 120.511 -0.852 . . . . 50.55 112.948 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.92 -52.29 63.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 O-C-N 122.009 -0.701 . . . . 48.89 110.217 176.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.42 -45.25 89.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 O-C-N 122.055 -0.403 . . . . 56.08 110.858 -173.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -64.38 -46.14 84.63 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.956 -0.698 . . . . 57.99 111.444 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -65.81 -33.37 75.7 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.155 -0.618 . . . . 54.17 111.382 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.79 74.9 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.199 -0.6 . . . . 53.09 110.661 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -41.77 92.82 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.083 -0.647 . . . . 56.44 110.76 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.87 -44.82 94.19 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 120.183 -1.008 . . . . 52.05 112.595 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -60.55 -37.29 80.75 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 122.242 -0.563 . . . . 64.6 111.383 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.59 -40.99 89.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 C-N-CA 120.365 -0.534 . . . . 56.21 110.655 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -63.58 -52.05 62.68 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.865 -0.522 . . . . 57.13 111.24 -178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.87 -25.14 65.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.845 -0.742 . . . . 56.89 111.551 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.07 75.76 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 119.798 -1.191 . . . . 57.94 112.269 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.75 -33.07 68.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.414 -0.914 . . . . 81.78 111.534 -178.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.28 -35.83 92.17 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 119.664 -1.255 . . . . 65.43 112.525 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.51 -39.67 81.15 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 122.334 -0.51 . . . . 63.3 111.148 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -69.19 -34.0 74.23 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.878 -0.329 . . . . 78.66 111.735 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -103.22 31.39 4.31 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.226 0.61 . . . . 77.78 111.92 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.91 145.49 55.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.751 . . . . 74.81 111.433 -168.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 3.1 mptp? -61.19 -80.95 0.02 OUTLIER 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.004 -0.998 . . . . 83.23 109.936 178.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -113.82 -158.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.985 0.914 . . . . 69.08 108.697 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.39 -30.72 42.59 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.815 -0.754 . . . . 73.31 112.089 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' A' ' 405' ' ' HOH . 4.4 mtp180 -67.88 -39.72 83.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.67 -0.812 . . . . 67.75 111.085 -179.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' CG ' ' HD3' ' A' ' 28' ' ' LYS . 80.6 m95 -66.77 -36.21 81.89 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.747 -0.781 . . . . 58.03 111.227 172.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.19 -46.73 89.29 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.852 0.358 . . . . 79.5 111.085 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.72 -40.71 87.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.542 -0.463 . . . . 54.8 110.446 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.35 -43.19 67.44 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.066 -0.653 . . . . 56.09 111.42 -175.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.25 -33.16 75.17 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.031 -0.668 . . . . 55.23 111.841 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.2 m -72.88 -43.45 62.49 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.661 -0.415 . . . . 47.98 111.365 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.7 mt -55.21 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.034 0.445 . . . . 47.99 110.749 175.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' ILE . 31.4 m120 -61.85 -29.32 70.1 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.254 -0.578 . . . . 55.18 111.939 -175.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -61.74 -48.67 79.67 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.324 -0.551 . . . . 49.6 111.112 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -71.21 -27.34 63.42 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.192 -0.603 . . . . 46.31 111.81 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 38' ' ' LEU . 77.5 mt -60.77 -46.36 96.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 120.318 -0.553 . . . . 48.63 109.994 174.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 94.4 m -73.91 -38.24 64.4 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.181 0.437 . . . . 54.14 112.181 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.89 -39.5 90.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.08 -0.648 . . . . 53.57 111.243 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.5 mt -61.63 -41.14 89.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.103 0.478 . . . . 52.6 110.115 173.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.77 78.41 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.487 -0.485 . . . . 49.72 111.352 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.23 82.53 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.072 -0.651 . . . . 45.64 111.4 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.9 74.11 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 119.878 -1.153 . . . . 47.66 112.657 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.0 ' HG ' ' HB2' ' A' ' 74' ' ' ASP . 1.8 tm? -65.11 -47.8 75.91 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 117.043 0.421 . . . . 66.16 111.118 177.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.23 -28.41 68.71 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.209 -0.996 . . . . 55.08 110.895 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.15 -38.87 92.63 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.147 -0.621 . . . . 51.8 110.912 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.09 -44.02 69.88 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.071 -0.652 . . . . 51.95 111.33 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 59.7 mtm -66.84 -41.03 88.07 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.337 -0.545 . . . . 58.14 111.319 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.83 -35.78 75.44 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.902 -0.719 . . . . 53.35 111.525 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.2 mt -83.06 10.75 7.41 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.709 0.633 . . . . 55.25 112.709 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.8 10.16 85.99 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 115.422 0.929 . . . . 51.99 115.422 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.81 148.16 22.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.474 1.137 . . . . 66.06 110.282 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.54 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 115.123 0.809 . . . . 60.79 115.123 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.34 129.29 75.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.832 -1.173 . . . . 60.96 107.832 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -143.8 141.97 30.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.496 -0.927 . . . . 67.53 108.496 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.41 118.3 19.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.76 -0.83 . . . . 77.06 108.76 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.445 HD12 ' HB ' ' A' ' 67' ' ' THR . 4.0 mt -127.4 139.59 51.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.028 -1.101 . . . . 70.89 108.028 176.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 54.61 23.64 4.84 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.041 0.537 . . . . 74.35 112.053 -176.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 22.87 49.27 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 115.642 1.017 . . . . 68.29 115.642 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.588 ' NH2' ' HB3' ' A' ' 181' ' ' PRO . 2.1 mmt85 -148.24 133.82 9.47 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-N 118.628 1.214 . . . . 77.12 111.521 -176.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.55 119.78 7.25 Favored 'Trans proline' 0 N--CA 1.472 0.246 0 C-N-CA 120.525 0.817 . . . . 67.5 110.74 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . 0.445 ' HB ' HD12 ' A' ' 62' ' ' ILE . 85.4 m -123.27 125.34 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.876 -0.787 . . . . 65.61 108.876 -174.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -91.72 77.43 5.59 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.074 -1.084 . . . . 63.45 108.074 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 63.0 p-90 -63.75 -28.09 69.64 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.167 -0.924 . . . . 60.41 111.647 -177.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 49' ' ' LEU . 9.2 p -66.01 -14.52 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 112.275 0.472 . . . . 58.01 112.275 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -56.57 -30.98 63.77 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.392 -0.523 . . . . 66.43 111.034 171.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.28 -19.69 58.05 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.298 0.851 . . . . 51.25 113.298 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 70' ' ' VAL . 2.7 m -81.86 -28.72 9.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 C-N-CA 118.919 -1.112 . . . . 62.37 110.441 172.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . 1.0 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 4.1 t0 -56.69 -61.2 2.59 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.404 -0.591 . . . . 63.74 109.404 167.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.62 ' CD1' ' H14' ' A' ' 301' ' ' RET . 51.2 m0 -63.71 -37.57 87.87 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.176 -0.465 . . . . 49.03 111.45 -171.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -62.4 -29.23 70.34 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.786 -0.766 . . . . 51.02 111.83 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -94.57 -36.12 11.95 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.257 0.836 . . . . 67.12 113.257 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 p -86.43 -39.62 16.17 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 113.09 0.774 . . . . 51.42 113.09 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.3 p -62.36 -37.96 41.8 Favored Pre-proline 0 C--O 1.247 0.952 0 CA-C-O 117.576 -1.202 . . . . 49.45 113.72 -177.58 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' THR . 35.5 Cg_endo -61.34 -32.73 89.81 Favored 'Trans proline' 0 C--O 1.236 0.394 0 CA-C-N 122.346 1.873 . . . . 47.63 112.471 174.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.14 -38.38 90.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 117.782 0.265 . . . . 51.34 111.047 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 85' ' ' ASP . 30.2 mt -63.96 -38.12 89.91 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.521 -0.471 . . . . 52.16 111.403 175.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.84 -33.15 68.22 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.697 -0.801 . . . . 48.05 111.536 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.18 -36.96 78.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.613 -0.835 . . . . 50.59 111.188 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.7 m-20 -48.25 -51.6 24.85 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.09 0.471 . . . . 55.06 111.029 171.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.564 HD23 HD13 ' A' ' 162' ' ' LEU . 16.7 mt -63.56 -47.05 83.15 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.461 -0.496 . . . . 51.18 111.006 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.0 p -71.87 -28.03 63.26 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.555 -0.858 . . . . 49.08 111.73 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -71.5 -50.67 29.13 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.929 -0.309 . . . . 58.57 110.921 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.11 -37.62 80.56 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.312 -0.555 . . . . 54.48 111.01 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.44 -16.89 74.92 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 115.365 0.906 . . . . 52.63 115.365 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.498 ' NH1' ' O ' ' A' ' 406' ' ' HOH . 22.7 mtt85 54.87 55.93 7.24 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 122.405 1.097 . . . . 66.08 110.087 -173.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.0 m -79.35 150.69 31.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.461 -1.245 . . . . 53.97 111.402 -170.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -53.98 149.55 9.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.406 -0.816 . . . . 54.13 111.219 174.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.19 -46.75 97.83 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-O 118.282 -0.866 . . . . 54.52 112.889 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.18 -32.44 33.77 Favored 'Trans proline' 0 C--O 1.238 0.49 0 CA-C-N 121.388 1.531 . . . . 58.73 113.652 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.9 tp -74.1 -34.12 63.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.825 0.739 . . . . 53.51 112.067 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.4 m -67.37 -44.74 78.23 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.589 -0.845 . . . . 54.74 110.779 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.36 -36.26 90.57 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 119.93 -1.129 . . . . 49.62 112.744 177.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -65.16 -37.71 88.26 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 117.162 0.481 . . . . 53.96 111.346 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.25 -43.93 80.67 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.697 -0.401 . . . . 51.31 111.244 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.67 -40.45 72.97 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.37 -0.932 . . . . 57.56 111.036 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.78 97.32 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.158 -1.02 . . . . 48.46 112.883 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.03 -34.84 78.58 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.49 -0.884 . . . . 50.44 111.29 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -64.06 -46.89 82.36 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.921 -0.312 . . . . 47.28 111.441 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.06 97.81 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.562 -0.455 . . . . 49.12 111.09 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -57.55 -46.98 83.26 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.913 -0.315 . . . . 55.45 111.207 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 35.9 ttp -60.99 -36.86 80.59 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 121.01 -0.276 . . . . 48.52 111.362 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.1 mt -79.3 -42.5 25.63 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.363 -0.535 . . . . 45.82 111.773 -174.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -59.32 -51.56 71.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.474 -0.49 . . . . 47.15 110.361 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.9 p -65.84 -30.16 70.73 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.601 -0.84 . . . . 48.62 111.535 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.15 -41.09 95.12 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 119.836 -1.173 . . . . 45.29 112.066 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.23 -43.27 87.67 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 122.434 -0.451 . . . . 53.52 110.953 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.08 -39.77 86.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 119.47 -0.892 . . . . 48.83 110.212 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.86 85.74 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 121.771 -0.58 . . . . 52.47 111.25 175.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.2 m -65.82 -42.99 89.91 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.02 -0.672 . . . . 52.61 111.407 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.11 1.4 9.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 113.43 0.9 . . . . 54.18 113.43 -172.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.8 p -105.26 150.81 39.3 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 118.836 0.744 . . . . 59.12 110.434 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.72 166.77 24.99 Favored 'Trans proline' 0 C--N 1.332 -0.314 0 C-N-CA 120.781 0.988 . . . . 60.44 111.835 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.92 145.58 81.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 114.669 -1.151 . . . . 67.53 110.303 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -95.34 8.15 47.35 Favored 'Cis proline' 0 N--CA 1.465 -0.187 0 C-N-CA 126.186 -0.339 . . . . 57.62 112.846 1.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.3 tpp -55.61 -42.1 74.4 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.725 0.641 . . . . 57.7 111.153 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -31.07 65.54 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.018 0.377 . . . . 56.28 112.018 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -64.51 -34.33 77.96 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.035 -0.666 . . . . 73.96 111.654 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 53.3 mt -61.27 -52.34 62.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.3 0.572 . . . . 59.84 110.15 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -69.97 -22.29 63.17 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.4 -0.52 . . . . 58.78 112.204 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.45 -46.2 80.82 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.469 -0.493 . . . . 52.63 110.797 169.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.56 -34.94 73.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.582 -0.447 . . . . 52.3 110.679 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.31 -39.67 84.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 C-N-CA 119.582 -0.847 . . . . 51.58 110.338 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 -37.92 64.14 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 121.866 -0.521 . . . . 56.17 111.714 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.24 -39.22 93.51 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.799 -0.36 . . . . 53.79 111.443 175.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.54 89.1 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.365 -0.534 . . . . 52.98 110.521 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.28 -35.2 80.29 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.657 -0.417 . . . . 53.96 111.466 173.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.27 -41.32 77.02 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.156 -0.618 . . . . 51.08 111.271 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.01 -27.98 69.49 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.283 -0.567 . . . . 60.21 111.464 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.61 83.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.944 -0.702 . . . . 53.09 110.827 173.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.49 -36.27 72.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 120.506 -0.478 . . . . 55.77 110.359 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.81 -45.28 91.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.09 0.471 . . . . 51.89 110.161 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -63.59 -47.97 79.3 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.805 -0.758 . . . . 78.59 110.878 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 43.2 mt -56.97 -39.23 74.22 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.49 -0.484 . . . . 53.12 111.494 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 144' ' ' TYR . 97.2 mt -81.96 -31.81 31.05 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.889 -0.724 . . . . 57.65 112.11 -178.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.14 36.74 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.761 -0.776 . . . . 56.38 112.232 -176.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -117.73 -75.11 0.01 OUTLIER Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 117.956 -1.498 . . . . 69.29 111.669 -176.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.77 -37.82 11.29 Favored 'Trans proline' 0 C--O 1.237 0.467 0 CA-C-N 121.762 1.665 . . . . 56.97 113.618 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 140' ' ' LEU . 30.4 t80 -66.94 -48.71 67.76 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.07 -1.052 . . . . 51.48 111.175 -179.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -66.03 -40.54 91.09 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.236 -0.586 . . . . 66.4 111.218 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 13.5 mt -63.9 -47.66 89.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.93 0.395 . . . . 64.2 110.56 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.55 80.85 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.369 -0.533 . . . . 62.76 111.93 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.09 -37.21 66.82 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.454 -0.498 . . . . 51.38 111.348 -176.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.31 -38.35 81.52 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.339 -0.544 . . . . 72.88 111.366 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -61.66 -38.2 86.88 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.322 -0.551 . . . . 86.49 111.144 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -75.66 -17.91 59.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.864 0.69 . . . . 59.89 112.864 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -131.86 77.23 72.61 Favored Pre-proline 0 C--O 1.238 0.5 0 N-CA-C 107.091 -1.448 . . . . 55.66 107.091 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -66.18 -40.18 16.12 Favored 'Trans proline' 0 C--O 1.238 0.502 0 N-CA-C 114.501 0.923 . . . . 62.5 114.501 -168.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.87 32.73 2.28 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.771 0.714 . . . . 73.14 112.504 -177.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.0 m -149.65 42.11 0.88 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.977 0.418 . . . . 64.03 110.2 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -73.49 -33.2 64.7 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.962 0.727 . . . . 66.17 112.962 -172.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.6 -29.11 70.13 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.722 -0.791 . . . . 67.51 111.357 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.02 83.51 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.659 -0.416 . . . . 55.77 111.138 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -72.7 -29.26 63.24 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.99 -0.684 . . . . 53.64 111.96 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -64.56 -40.69 96.02 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 119.464 -0.894 . . . . 74.88 110.94 171.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 43.4 m -66.4 -42.2 88.19 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.323 -0.551 . . . . 51.27 111.202 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.564 HD13 HD23 ' A' ' 86' ' ' LEU . 3.2 mt -58.82 -51.73 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.868 0.366 . . . . 52.33 111.365 -179.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 37.8 t -63.35 -44.56 99.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.684 -0.407 . . . . 53.73 110.415 -177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 27.2 m -63.4 -47.95 79.86 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.874 -0.516 . . . . 55.46 111.631 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.58 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.433 -0.507 . . . . 52.52 110.551 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 402' ' ' HOH . 10.1 t60 -62.79 -42.16 99.58 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.927 -0.483 . . . . 53.79 111.101 176.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.59 -44.1 75.07 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.916 -0.314 . . . . 49.88 111.576 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.55 -36.02 69.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 118.672 -1.211 . . . . 53.41 110.5 -176.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.09 -44.15 66.26 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.756 -0.778 . . . . 50.06 111.521 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -71.74 -26.54 62.51 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.443 -0.903 . . . . 51.23 112.226 -176.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 16.5 m -65.21 -26.69 68.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.001 0.371 . . . . 50.54 112.001 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.59 -25.41 62.17 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 119.95 -0.7 . . . . 49.69 112.414 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -59.56 -51.15 83.21 Favored Pre-proline 0 C--O 1.246 0.87 0 CA-C-O 118.372 -0.823 . . . . 49.4 112.624 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -68.69 -18.1 42.41 Favored 'Trans proline' 0 C--O 1.238 0.501 0 CA-C-N 121.667 1.631 . . . . 50.87 113.369 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 32.8 mt -76.13 -44.19 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 118.655 0.661 . . . . 49.24 110.709 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.1 -40.6 83.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.968 0.414 . . . . 52.17 110.282 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -61.25 -58.15 9.47 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 122.076 -0.39 . . . . 52.2 111.239 -178.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 7.8 tp -64.77 -22.6 31.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 120.382 -0.527 . . . . 50.89 112.008 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 37.3 mt -86.41 -22.83 26.36 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.515 0.598 . . . . 53.61 112.302 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 54.3 p -65.34 176.01 0.95 Allowed Pre-proline 0 C--O 1.237 0.445 0 C-N-CA 125.414 1.486 . . . . 54.26 109.791 176.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.588 ' HB3' ' NH2' ' A' ' 65' ' ' ARG . 70.3 Cg_exo -55.61 -20.86 28.97 Favored 'Trans proline' 0 C--O 1.235 0.366 0 N-CA-C 114.292 0.843 . . . . 55.82 114.292 173.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -60.5 -18.81 54.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.251 0.463 . . . . 55.32 112.251 174.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -127.29 -103.79 1.26 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 117.825 0.284 . . . . 59.25 112.838 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -88.9 -2.79 58.76 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.483 0.92 . . . . 63.17 113.483 -174.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 57.67 45.68 18.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.404 0.621 . . . . 57.09 111.798 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.3 p -75.86 -25.46 56.2 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.872 -0.731 . . . . 55.83 112.557 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -142.18 165.64 26.87 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.784 -0.821 . . . . 54.34 108.784 176.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 31.6 p -94.69 -170.29 2.2 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.725 0.774 . . . . 63.78 109.957 -175.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -66.33 -36.09 82.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.922 -0.581 . . . . 67.24 111.696 -174.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -59.69 -47.89 88.73 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.727 -1.225 . . . . 56.03 112.341 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 47.1 m -66.08 -37.99 87.17 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.32 -0.518 . . . . 55.23 111.284 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -61.65 -37.29 83.5 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.861 -0.336 . . . . 57.88 111.241 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 42.0 m -67.77 -40.69 83.99 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.016 -0.673 . . . . 54.23 111.219 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 7.6 ttp -67.5 -39.43 85.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.793 -0.763 . . . . 68.85 111.555 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -61.22 -57.43 12.47 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.513 -0.475 . . . . 53.8 110.978 -178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -56.42 -38.63 71.83 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.957 -0.297 . . . . 54.17 111.573 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.2 m -63.36 -48.75 76.63 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.673 -0.411 . . . . 52.52 111.232 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.96 -30.93 64.21 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.155 -1.018 . . . . 50.83 111.678 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.31 -49.56 75.12 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.06 -0.656 . . . . 50.0 110.648 171.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.54 -39.96 77.77 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.652 -0.419 . . . . 55.76 111.39 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 55.8 mt -64.41 -43.89 97.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.577 -0.849 . . . . 54.05 110.212 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.53 95.81 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.042 -0.411 . . . . 52.51 111.914 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 26.5 p -84.87 -12.12 54.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.271 0.841 . . . . 51.49 113.271 -172.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -112.34 -63.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 118.646 0.657 . . . . 51.12 111.55 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.87 -51.73 57.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.252 -0.579 . . . . 54.19 110.339 176.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -60.7 -50.29 69.25 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 120.345 -0.931 . . . . 54.76 112.791 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.67 -29.04 67.43 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.481 -0.887 . . . . 53.68 111.582 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.04 99.0 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 119.791 -1.195 . . . . 53.2 112.328 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -61.52 -45.41 94.3 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.26 -0.553 . . . . 62.12 111.04 175.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.97 -32.32 73.82 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.015 0.376 . . . . 50.21 112.015 -176.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 96.0 p -73.31 -37.82 66.06 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.622 -0.431 . . . . 53.71 111.315 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.79 -48.54 76.49 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.471 -0.492 . . . . 50.3 110.807 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -65.61 -24.77 67.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.752 -0.779 . . . . 70.1 111.843 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 218' ' ' LEU . 12.5 m -69.21 -46.35 67.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.243 -0.583 . . . . 52.68 110.932 174.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 31.7 tp -57.79 -38.95 76.41 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.952 -0.699 . . . . 54.89 110.847 175.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -61.11 -45.3 95.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.292 -0.563 . . . . 75.76 111.018 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 20.4 m -60.61 -46.93 88.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.495 -0.482 . . . . 71.9 111.324 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 214' ' ' THR . 29.4 mt -63.78 -30.56 71.64 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.916 -0.714 . . . . 75.4 111.933 179.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -86.92 -37.34 17.72 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.54 0.57 . . . . 72.4 112.54 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -61.5 -21.37 64.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.473 -0.491 . . . . 89.02 111.539 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' ALA . . . . . . . . . . . . . . . -83.9 43.28 0.91 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.237 0.458 . . . . 84.25 112.237 167.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 121.203 0.525 . . . . 86.64 111.331 175.461 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' RET . . . . . 0.677 ' H8 ' H161 ' A' ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . 0.599 ' O ' ' ND1' ' A' ' 166' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.507 ' O ' ' NH1' ' A' ' 31' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . 0.498 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 stop_ save_