data_6otw_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 6otw _Structure_validation_residue.Date_analyzed 2020-03-27 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' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 113.919 1.081 . . . . 96.89 113.919 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p 71.89 -6.62 1.43 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 126.364 1.865 . . . . 71.93 112.399 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.49 121.02 15.5 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.671 0.272 . . . . 64.19 110.418 -176.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.4 p -66.93 168.02 10.6 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 122.1 0.953 . . . . 65.47 110.287 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.32 -49.04 94.71 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 119.004 -1.079 . . . . 65.97 112.312 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 -35.21 98.37 Favored 'Trans proline' 0 C--N 1.349 0.603 0 CA-C-N 121.453 1.555 . . . . 70.57 113.656 176.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -70.15 -34.36 72.93 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 118.897 -1.121 . . . . 65.26 112.39 -177.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -67.85 -41.45 82.9 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.82 -0.752 . . . . 67.36 110.243 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.15 90.33 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.795 0.331 . . . . 65.06 111.194 174.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -45.2 91.24 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.516 -0.474 . . . . 63.34 111.52 175.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.95 -39.37 79.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.076 -1.05 . . . . 59.66 110.241 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -70.48 -40.57 73.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.523 -0.871 . . . . 86.27 110.936 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -67.55 -49.17 64.54 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.896 -0.721 . . . . 83.82 111.79 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -59.39 -44.77 92.73 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.638 -0.425 . . . . 65.59 111.551 177.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -64.82 -35.52 81.36 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.165 -1.014 . . . . 61.4 110.699 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 t -65.72 -41.27 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 118.931 -1.108 . . . . 71.51 109.954 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -60.53 -46.0 91.76 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 122.014 -0.429 . . . . 77.63 110.858 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -49.84 -44.39 49.5 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.795 0.331 . . . . 64.95 111.379 170.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mmm -75.14 -15.72 60.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.872 0.693 . . . . 61.8 112.872 -174.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.3 -35.38 65.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.456 0.571 . . . . 79.54 111.488 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -129.91 54.59 1.84 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.944 0.878 . . . . 93.13 109.974 166.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.22 -27.69 71.01 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.707 -0.759 . . . . 65.34 111.903 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 p -24.82 -91.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.694 0 C-N-CA 126.59 1.956 . . . . 113.04 110.221 157.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 p -78.41 -23.58 46.65 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.478 -0.489 . . . . 96.47 112.076 -172.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -58.96 -44.07 91.4 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.599 -0.841 . . . . 76.5 110.546 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.48 -42.02 99.11 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 119.939 -1.124 . . . . 64.63 112.392 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -55.85 -46.74 78.11 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 122.543 -0.387 . . . . 92.34 110.916 171.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.1 -34.71 89.92 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.741 -0.742 . . . . 70.03 113.446 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -66.14 -37.84 86.69 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 119.958 -0.697 . . . . 68.31 111.208 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -71.04 -41.54 70.67 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.786 -0.766 . . . . 87.14 111.206 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.9 mmt -53.99 -52.89 59.31 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.955 0.407 . . . . 93.37 110.923 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.28 -50.63 61.76 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.918 0.39 . . . . 85.4 111.182 175.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -60.35 -50.11 74.9 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.767 0.317 . . . . 77.81 111.258 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -65.4 -34.81 79.19 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.17 -0.612 . . . . 86.05 111.541 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -76.16 -37.3 58.09 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 118.928 -1.109 . . . . 112.9 111.659 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.73 74.84 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.704 -0.798 . . . . 96.31 111.49 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -134.73 87.4 31.02 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.493 -0.929 . . . . 98.9 108.493 -176.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.03 -29.48 89.37 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 C-N-CA 120.831 1.021 . . . . 97.73 114.608 -173.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 pm0 -58.55 -22.39 55.52 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.614 0.643 . . . . 119.02 112.49 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -67.95 -21.64 65.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.558 0.617 . . . . 87.31 112.504 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mt -63.43 -26.53 68.78 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.317 0.508 . . . . 95.4 111.425 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.4 m -62.35 -48.85 86.29 Favored Pre-proline 0 C--O 1.241 0.642 0 CA-C-O 118.289 -0.862 . . . . 96.04 112.709 -174.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -60.1 -20.13 59.71 Favored 'Trans proline' 0 CA--C 1.513 -0.55 0 CA-C-N 121.25 1.482 . . . . 86.39 113.375 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -93.09 2.68 56.62 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.808 0.67 . . . . 79.23 112.808 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -20.02 61.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.497 -0.881 . . . . 99.0 111.904 -167.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.6 82.94 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.168 -0.613 . . . . 85.44 110.431 171.901 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -77.62 -41.67 37.66 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 112.328 0.492 . . . . 81.75 112.328 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -111.68 -2.14 15.46 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.928 1.084 . . . . 87.65 113.928 -166.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.77 -36.12 64.83 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 119.913 -1.137 . . . . 91.04 114.125 -166.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.0 0.3 87.58 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 123.979 0.8 . . . . 83.73 115.066 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -109.83 143.08 40.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.56 0.68 . . . . 86.79 110.107 179.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 p -80.09 172.58 13.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 84.11 109.109 167.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.39 -41.06 98.36 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 119.678 -0.809 . . . . 99.06 110.568 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.02 96.79 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.264 -0.273 . . . . 86.21 111.245 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.81 -14.48 62.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.852 -0.739 . . . . 87.68 112.848 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.91 -19.67 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.909 0.707 . . . . 78.91 112.909 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -73.38 124.36 25.62 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.239 -0.984 . . . . 137.48 110.323 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 64.55 16.87 10.56 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.962 1.305 . . . . 92.89 112.472 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -74.93 140.12 73.81 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.8 -0.445 . . . . 77.4 109.8 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.64 -34.24 82.63 Favored 'Trans proline' 0 C--O 1.237 0.469 0 N-CA-C 114.154 0.79 . . . . 74.47 114.154 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.69 -31.83 70.09 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 118.87 0.759 . . . . 81.87 111.649 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.6 tpp -75.74 -34.76 60.33 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.097 -0.641 . . . . 84.13 111.094 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.2 -42.75 88.36 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.301 -0.96 . . . . 106.17 110.135 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.69 -49.63 76.74 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.94 -0.304 . . . . 66.7 111.286 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.38 -39.08 92.03 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.471 -0.892 . . . . 70.95 111.13 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 t -67.47 -35.32 78.96 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.291 -0.963 . . . . 74.88 110.77 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.13 -45.17 74.35 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.72 -0.792 . . . . 73.57 111.299 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -69.98 -30.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.367 -1.333 . . . . 62.97 110.057 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.23 -47.34 86.39 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 121.764 -0.585 . . . . 67.37 110.92 171.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.9 m -63.86 -38.19 90.18 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.596 -0.442 . . . . 64.0 111.476 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -61.53 -44.93 96.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.057 -1.057 . . . . 83.36 110.399 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.71 -45.65 87.8 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 119.846 -1.169 . . . . 60.48 112.545 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.9 tpp -63.15 -44.26 96.01 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.997 -0.681 . . . . 78.2 111.114 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m -56.18 -38.55 71.07 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.645 -0.422 . . . . 68.15 111.853 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 p -66.36 -33.58 76.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.078 -0.249 . . . . 69.58 110.934 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -67.44 -52.25 41.81 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.443 -0.903 . . . . 63.21 110.637 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.02 -33.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.264 -0.574 . . . . 56.19 110.438 -176.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.67 -3.02 28.89 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 113.306 0.854 . . . . 76.67 113.306 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -131.12 32.16 4.32 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 118.897 0.771 . . . . 60.27 110.638 -172.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.26 -21.72 66.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.926 -0.579 . . . . 57.33 111.654 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.67 15.67 20.92 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.186 0.439 . . . . 67.83 112.186 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -138.32 73.04 1.42 Allowed 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.719 -1.956 . . . . 60.29 105.719 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.9 -31.12 67.66 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.013 -1.055 . . . . 126.11 112.503 -173.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -52.55 -45.22 66.28 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.552 -0.859 . . . . 70.84 111.629 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mtp -72.35 -39.91 67.77 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.909 -0.717 . . . . 61.71 111.097 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.8 tp -54.94 -46.59 75.0 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.099 -0.64 . . . . 56.28 110.971 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.01 -38.74 80.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 C-N-CA 119.875 -0.73 . . . . 76.66 110.943 -174.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.68 -50.83 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 118.759 -1.176 . . . . 63.53 110.046 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 62.1 mt -53.39 -42.22 66.7 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.663 -0.415 . . . . 65.82 111.403 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.5 mt -70.16 -39.37 76.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 121.025 0.441 . . . . 64.08 110.351 -176.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -70.49 -38.63 74.38 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.546 -0.462 . . . . 68.89 110.734 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' NZ ' ' OE1' ' B' ' 66' ' ' GLN . 10.2 mtpp -52.8 -45.92 67.42 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 71.6 110.095 173.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -67.9 -40.78 83.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.17 -0.468 . . . . 91.5 111.164 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.75 85.55 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.908 -0.317 . . . . 68.17 111.387 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . 0.688 ' NZ ' ' O ' ' A' ' 601' ' ' HOH . 3.6 tttm -59.97 -60.32 4.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.899 0.38 . . . . 102.09 111.264 175.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.28 -39.83 67.26 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.001 -0.437 . . . . 65.57 111.343 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -75.72 -38.78 58.26 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 77.78 112.732 175.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.66 -29.57 66.68 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 118.88 -1.128 . . . . 79.55 111.084 177.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.04 -15.51 63.48 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.833 0.679 . . . . 99.12 112.833 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -104.53 28.79 6.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 118.573 0.624 . . . . 98.1 112.608 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.62 5.39 12.54 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 115.531 0.972 . . . . 84.36 115.531 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.2 mt -81.45 115.42 23.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.875 1.338 . . . . 87.41 108.734 -176.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.2 mmt-85 -76.2 170.99 15.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.615 0.721 . . . . 135.26 109.996 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.36 60.72 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.733 -0.667 . . . . 91.49 112.027 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.1 p -66.5 -33.17 75.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.095 -0.642 . . . . 89.32 111.506 172.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -67.24 -29.41 69.04 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 112.094 0.405 . . . . 100.05 112.094 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 mt -83.56 -33.72 25.36 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.701 -0.8 . . . . 92.99 112.297 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -41.85 91.43 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.936 -1.105 . . . . 105.57 110.722 173.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -67.53 -37.23 82.44 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.506 -0.877 . . . . 94.02 110.9 -177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.83 97.91 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.379 -0.928 . . . . 87.7 110.787 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.6 -36.86 69.89 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 121.011 -0.276 . . . . 91.11 111.056 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -59.44 -51.19 70.94 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.184 -0.607 . . . . 103.55 110.757 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.38 -39.66 81.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.974 0.416 . . . . 96.32 110.766 -179.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.48 -41.3 93.93 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.119 -0.632 . . . . 74.91 111.295 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.26 -40.49 87.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.55 -0.46 . . . . 76.04 110.417 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -70.58 -40.64 73.17 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.805 -0.758 . . . . 116.99 110.965 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -51.89 -46.0 64.38 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.148 -0.621 . . . . 78.62 110.615 172.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mtp -66.1 -39.65 90.13 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.548 -0.296 . . . . 74.69 111.333 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.14 -49.63 66.77 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.739 -0.784 . . . . 138.32 110.891 176.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -22.75 3.21 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.576 0.584 . . . . 116.38 112.576 179.073 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -113.36 19.73 16.74 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.625 0.602 . . . . 79.2 112.625 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 60.47 31.86 20.41 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.243 0.617 . . . . 99.53 111.761 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -82.02 -35.68 28.59 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.084 -0.385 . . . . 74.48 111.547 171.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.1 mmt -65.29 90.81 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 123.64 0.776 . . . . 76.7 112.993 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.56 171.41 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 N-CA-C 108.869 -0.789 . . . . 110.89 108.869 169.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.33 126.5 31.09 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 120.763 -0.732 . . . . 88.41 113.103 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.89 -2.99 30.42 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 116.167 1.227 . . . . 87.67 116.167 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.92 67.68 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.956 1.378 . . . . 67.55 112.662 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -66.21 -47.0 75.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 118.001 -1.479 . . . . 105.81 110.646 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -59.98 -40.57 89.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.732 -0.387 . . . . 76.58 111.191 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.52 86.89 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.536 -0.866 . . . . 66.34 110.226 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -67.15 -36.53 82.05 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.231 -0.588 . . . . 63.94 111.537 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.98 -42.48 76.49 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.015 -1.074 . . . . 118.8 110.23 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.45 -45.84 85.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.999 -0.371 . . . . 72.7 109.999 172.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.89 -40.92 97.1 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.262 0.467 . . . . 71.83 112.262 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.0 m -78.29 -22.72 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 118.431 -1.308 . . . . 78.97 112.004 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.3 -48.68 84.09 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.269 -1.443 . . . . 74.0 111.967 166.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.52 -46.2 80.7 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 122.109 -0.642 . . . . 81.33 111.398 175.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 17.3 mt -57.87 -40.3 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 119.49 -0.884 . . . . 70.64 109.833 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' CYS . . . . . . . . . . . . . 43.1 m -78.34 -40.4 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.529 -0.868 . . . . 92.38 112.166 -170.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -63.77 -37.87 88.99 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 118.076 -1.45 . . . . 108.49 110.063 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 37.0 m -59.2 -45.26 91.54 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.679 -0.409 . . . . 83.03 111.382 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.8 -51.97 35.19 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.581 -0.847 . . . . 97.35 110.978 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -56.62 -33.07 62.1 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.331 -0.938 . . . . 100.38 112.656 -175.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.9 -64.59 0.83 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.114 0.483 . . . . 101.27 111.34 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.8 -25.81 21.06 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.472 0.545 . . . . 99.11 112.472 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.1 mtp -83.96 -38.24 21.24 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.198 -1.001 . . . . 97.61 112.469 -170.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -73.02 -23.68 60.64 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.13 -1.028 . . . . 123.33 112.13 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -86.29 52.53 2.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.998 0.428 . . . . 167.83 111.016 170.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 tt -157.46 119.75 3.83 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.759 -0.83 . . . . 133.28 108.759 -170.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 124.289 1.036 . . . . 127.97 113.452 178.228 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 111.872 0.323 . . . . 103.6 111.872 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -53.92 -33.66 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.889 -0.724 . . . . 91.24 111.009 167.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.9 7.26 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.78 -0.724 . . . . 84.56 113.446 -160.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.86 141.84 38.87 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.54 0.67 . . . . 84.83 110.067 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -82.5 161.66 22.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.62 0.724 . . . . 90.97 110.258 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.58 -44.66 59.78 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.958 -1.019 . . . . 83.13 113.656 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -58.0 -49.35 13.03 Favored 'Trans proline' 0 N--CA 1.477 0.547 0 N-CA-C 113.576 0.568 . . . . 95.5 113.576 167.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -58.13 -39.75 79.54 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.124 -0.631 . . . . 100.41 111.233 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -65.14 -38.99 92.36 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.979 -0.688 . . . . 88.19 110.658 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.19 82.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.975 -0.29 . . . . 95.15 111.321 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.67 83.18 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.969 -0.692 . . . . 99.1 111.472 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.34 -38.24 83.16 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.787 -0.765 . . . . 85.36 110.766 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -70.82 -31.74 68.58 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.906 -0.718 . . . . 105.38 111.428 -175.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 91.1 p -89.83 -39.81 12.85 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.231 0.456 . . . . 100.92 112.231 -176.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.7 p -60.23 -39.52 86.98 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.99 -0.684 . . . . 79.08 111.065 170.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -69.74 -22.95 63.33 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.911 -0.716 . . . . 67.35 111.946 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -36.35 82.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 118.075 -1.45 . . . . 68.48 109.733 172.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -58.45 -46.8 85.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.657 0.265 . . . . 89.97 111.376 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.35 -37.12 84.44 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.996 -0.44 . . . . 61.99 111.66 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 66.9 mmm -78.09 -18.0 56.26 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 121.832 -0.543 . . . . 56.47 111.926 -174.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -59.53 -21.32 60.05 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.215 0.322 . . . . 69.54 111.32 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -140.02 68.37 1.36 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 106.897 -1.52 . . . . 65.2 106.897 170.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.92 28.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.15 -0.932 . . . . 54.96 112.004 -169.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.1 -48.78 72.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.637 -0.425 . . . . 57.96 110.69 -174.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -52.79 -47.86 67.27 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 122.093 -0.38 . . . . 67.17 111.065 174.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 602' ' ' HOH . 85.5 m-20 -73.92 -27.6 61.11 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.495 -1.282 . . . . 65.29 111.849 -177.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.86 55.18 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.502 -1.333 . . . . 67.8 112.425 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 4.2 p -65.44 -39.67 92.36 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 117.043 -1.863 . . . . 81.67 110.743 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -58.1 -47.05 84.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.214 0.531 . . . . 84.72 110.294 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -51.01 -51.17 55.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.283 -0.417 . . . . 66.44 111.016 172.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . 0.685 ' OH ' ' O ' ' B' ' 601' ' ' HOH . 16.8 m-85 -58.02 -42.45 85.32 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.505 -0.478 . . . . 73.36 111.649 -178.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 31.0 mmt -60.09 -49.78 76.3 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.288 -0.257 . . . . 90.69 111.11 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -52.93 -39.8 63.12 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.415 -0.514 . . . . 83.37 110.897 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.5 tp -68.58 -48.72 63.47 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.691 0.256 . . . . 69.07 111.691 -175.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -64.8 -40.48 95.3 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.039 -0.664 . . . . 70.6 111.122 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.2 -42.19 90.32 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.921 -0.487 . . . . 86.79 111.484 174.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.62 -36.27 24.01 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.648 -0.821 . . . . 80.82 112.449 -173.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.03 80.62 70.69 Favored Pre-proline 0 C--O 1.241 0.633 0 N-CA-C 108.168 -1.049 . . . . 105.35 108.168 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -54.4 -26.97 46.74 Favored 'Trans proline' 0 C--O 1.235 0.357 0 N-CA-C 114.474 0.913 . . . . 83.23 114.474 -173.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.68 -39.93 71.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.082 0.855 . . . . 137.67 112.258 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 29.4 p -54.31 -12.0 0.6 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.412 0.523 . . . . 80.74 112.412 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -23.75 52.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 112.941 0.719 . . . . 94.46 112.941 175.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.7 m -58.97 -43.99 98.31 Favored Pre-proline 0 C--O 1.244 0.776 0 CA-C-O 117.739 -1.124 . . . . 85.65 113.82 -176.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.53 -32.54 88.1 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 CA-C-N 121.688 1.639 . . . . 80.93 114.712 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.89 6.89 14.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 114.19 1.181 . . . . 70.75 114.19 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -66.14 -28.04 68.49 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 117.778 -1.569 . . . . 82.46 111.546 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -68.13 -44.01 77.05 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.29 -0.964 . . . . 90.22 110.717 173.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.42 -47.17 83.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.766 -0.374 . . . . 79.37 111.291 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.18 25.22 2.58 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 113.57 0.952 . . . . 83.31 113.57 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -35.34 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.366 1.067 . . . . 162.72 112.772 -174.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -103.61 55.95 0.74 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 139.3 110.849 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.57 107.81 14.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 107.543 -1.28 . . . . 100.02 107.543 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 7.2 p -73.32 168.15 19.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.043 0.925 . . . . 114.11 110.369 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -76.03 -26.35 56.53 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.586 -0.846 . . . . 126.95 111.924 -171.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.16 -30.29 71.2 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.177 -0.609 . . . . 128.61 110.923 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.41 0.35 31.12 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.233 0.827 . . . . 125.08 113.233 -175.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptp -84.18 -30.92 25.41 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 117.978 -1.489 . . . . 95.05 113.425 -168.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.6 m -55.68 148.8 15.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 117.484 -1.686 . . . . 92.41 107.96 156.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 66.23 -1.75 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.933 0.893 . . . . 99.38 113.362 176.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -84.2 140.95 39.63 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 119.322 0.964 . . . . 70.85 110.589 -177.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -55.89 -42.05 71.0 Favored 'Trans proline' 0 C--O 1.233 0.256 0 CA-C-O 118.096 -0.877 . . . . 59.47 114.257 -173.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -52.21 -49.06 64.68 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.92 1.236 . . . . 68.52 110.73 171.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 43.6 tpp -69.71 -35.44 75.06 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 70.39 111.904 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -63.59 -47.72 80.29 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.951 -0.7 . . . . 65.29 109.676 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.45 -39.26 83.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.45 -0.341 . . . . 58.9 111.56 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLN . . . . . 0.542 ' OE1' ' NZ ' ' A' ' 92' ' ' LYS . 54.0 tp60 -69.0 -38.89 79.53 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 118.469 -1.292 . . . . 58.45 110.963 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.89 76.02 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.112 -1.035 . . . . 61.31 110.219 174.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 tp -66.24 -52.69 45.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.753 -0.203 . . . . 56.87 110.615 -176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 m -61.51 -35.2 65.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 C-N-CA 119.618 -0.833 . . . . 70.7 110.238 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.17 -44.21 96.07 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 122.194 -0.316 . . . . 61.4 111.39 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 91.6 m -61.67 -45.35 94.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.037 -0.665 . . . . 61.59 110.613 175.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.77 -40.63 93.22 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.741 -0.384 . . . . 60.93 110.6 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.08 55.17 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.674 -1.251 . . . . 59.12 112.024 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.8 tpp -66.14 -31.91 73.04 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.362 -0.935 . . . . 85.91 111.518 -177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -68.41 -41.0 81.07 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.065 -1.054 . . . . 66.01 110.749 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.9 p -56.92 -27.77 61.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.056 0.391 . . . . 68.95 112.056 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -79.83 -50.3 10.72 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.498 -0.881 . . . . 62.16 111.573 172.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.34 -44.05 97.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.117 0.484 . . . . 68.91 110.428 -175.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.63 -1.71 25.92 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.459 0.911 . . . . 82.13 113.459 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -126.41 32.62 5.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 71.84 110.748 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.15 -12.66 60.97 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 111.971 0.36 . . . . 81.87 111.971 176.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -100.28 -4.66 28.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.446 0.536 . . . . 109.89 112.446 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -119.55 89.54 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.874 -1.158 . . . . 98.09 107.874 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HIS . . . . . 0.476 ' NE2' ' OH ' ' B' ' 139' ' ' TYR . 59.7 t-80 -63.4 -42.85 98.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 98.5 112.487 -169.342 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.837 -0.539 . . . . 119.55 111.316 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 33.4 t -68.42 -48.89 70.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.054 0.454 . . . . 74.2 109.979 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 62.7 tp -45.73 -46.22 14.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.269 0.557 . . . . 65.26 110.526 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.01 -42.17 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.088 -0.506 . . . . 79.52 111.265 -172.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -73.82 -28.99 25.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 118.97 -1.092 . . . . 79.92 110.899 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.23 -49.02 78.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.524 -0.87 . . . . 72.97 110.639 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.9 -39.21 91.18 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 120.915 -0.314 . . . . 69.21 110.963 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -71.85 -34.99 69.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 118.712 -1.195 . . . . 81.82 111.005 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LYS . . . . . 0.705 ' NZ ' ' O1D' ' A' ' 500' ' ' HEM . 5.1 mtpp -56.78 -40.13 75.33 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.827 -1.149 . . . . 70.09 110.871 174.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 8.5 ttt -73.26 -43.56 60.88 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.462 -0.495 . . . . 76.87 111.066 -178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.59 78.45 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.846 -0.742 . . . . 77.37 111.185 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -65.55 -43.01 91.24 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.065 -0.654 . . . . 89.2 110.366 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.79 -50.72 72.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.9 0.381 . . . . 73.77 111.097 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -69.56 -42.05 75.06 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.364 -0.534 . . . . 80.98 111.636 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -53.08 -41.41 64.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 119.25 -0.98 . . . . 89.31 111.175 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -71.76 -1.03 12.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.439 -0.904 . . . . 110.83 112.851 -178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 -106.86 11.4 30.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.054 0.843 . . . . 96.9 112.279 171.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.75 85.3 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-O 118.849 -0.973 . . . . 83.1 115.361 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ILE . . . . . 0.678 ' O ' ' NH1' ' B' ' 104' ' ' ARG . 4.9 mp -72.02 143.89 13.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 118.549 1.174 . . . . 82.88 109.147 175.019 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ARG . . . . . 0.678 ' NH1' ' O ' ' B' ' 103' ' ' ILE . 40.6 mmt-85 -125.25 171.47 10.34 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.35 -0.981 . . . . 99.13 108.35 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -57.77 -35.97 53.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.188 -0.914 . . . . 100.24 110.525 -176.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.09 -46.83 61.93 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.916 0.389 . . . . 113.63 110.917 178.415 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -78.33 -35.29 47.86 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.263 -0.975 . . . . 102.69 111.072 -174.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.71 -43.97 94.99 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.276 -0.969 . . . . 69.04 110.823 176.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -59.11 -45.0 92.02 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.472 -0.491 . . . . 102.28 111.289 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -58.01 -42.21 84.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.347 -0.541 . . . . 95.19 111.349 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.11 -49.02 83.08 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 120.367 -0.92 . . . . 68.07 112.447 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -56.44 -37.92 70.91 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.325 -0.55 . . . . 72.91 110.972 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.79 -38.47 95.63 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 120.081 -1.056 . . . . 69.91 112.3 178.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.63 -44.3 98.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 122.21 -0.582 . . . . 68.15 110.166 172.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.16 -44.55 94.9 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.125 -0.359 . . . . 68.38 111.584 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.73 -43.62 98.33 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.299 -0.56 . . . . 84.23 111.26 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -64.24 -35.28 80.3 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.175 -1.01 . . . . 110.47 111.373 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -65.14 -46.36 81.23 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.559 -0.456 . . . . 76.28 111.039 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.67 -13.77 35.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.213 0.449 . . . . 93.1 112.213 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -89.93 -34.18 16.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.61 0.641 . . . . 101.25 112.473 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.48 -41.77 23.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.26 0.466 . . . . 98.59 112.26 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -107.9 -74.73 0.65 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.402 . . . . 102.58 110.581 -169.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.01 151.23 7.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.658 -1.238 . . . . 110.2 107.658 155.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -112.64 52.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 115.13 -2.628 . . . . 135.35 112.632 -170.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 2.7 m -65.77 132.66 31.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.615 -0.883 . . . . 100.25 108.615 172.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -165.67 157.13 14.18 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.149 -0.686 . . . . 147.03 109.149 -173.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.62 -114.8 2.88 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.025 -0.989 . . . . 117.18 113.406 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.8 p -64.53 -36.75 85.21 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 116.44 111.551 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 12.7 p -74.82 -9.13 58.26 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.382 -0.927 . . . . 133.29 112.926 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -96.88 -41.53 8.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 119.137 0.88 . . . . 122.94 113.239 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.05 -25.61 58.95 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.778 -0.769 . . . . 108.67 111.178 170.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.09 71.07 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.683 -0.407 . . . . 80.13 111.015 175.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -66.57 -40.3 88.92 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.622 -0.431 . . . . 74.27 111.303 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -56.16 -57.64 11.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.003 0.43 . . . . 112.71 111.191 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.15 -45.74 86.88 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.239 -0.288 . . . . 95.84 110.973 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -53.35 -50.14 65.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.229 0.455 . . . . 76.83 112.229 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 41.3 mt -67.6 -42.91 87.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.077 -0.649 . . . . 70.88 110.829 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.51 61.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.412 -0.515 . . . . 80.99 111.006 174.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' TYR . . . . . 0.476 ' OH ' ' NE2' ' B' ' 84' ' ' HIS . 91.2 t80 -62.88 -55.76 23.33 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.804 -0.358 . . . . 90.73 111.137 -179.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ILE . . . . . . . . . . . . . 65.3 mt -43.2 -44.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 123.538 0.735 . . . . 72.58 112.467 174.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' B' ' 145' ' ' GLY . 71.5 m -72.87 -34.81 66.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 119.199 -1.0 . . . . 80.89 111.695 -177.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -63.46 -46.61 85.44 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.496 -0.882 . . . . 112.93 110.551 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 6.7 t -58.01 -57.59 9.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 121.075 0.464 . . . . 90.67 110.738 175.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -61.88 -42.87 99.58 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.828 -0.349 . . . . 85.15 111.307 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 141' ' ' CYS . . . -61.67 -50.69 63.57 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.431 -0.89 . . . . 90.46 113.135 -178.502 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -66.02 -40.86 91.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 119.524 -0.87 . . . . 99.58 110.925 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -59.99 -29.8 68.7 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.779 -0.768 . . . . 99.22 110.537 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' MET . . . . . . . . . . . . . 50.9 mtm -90.1 -10.74 43.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 113.736 1.013 . . . . 111.38 113.736 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -92.17 -28.54 17.0 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.721 -1.192 . . . . 115.38 111.936 171.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.13 -18.2 64.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.173 -0.611 . . . . 144.8 110.47 164.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -61.84 2.29 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.921 0.488 . . . . 142.76 111.508 172.387 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.533 0.296 0 C-N-CA 124.548 1.139 . . . . 125.12 113.498 -166.581 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' HEM . . . . . 0.705 ' O1D' ' NZ ' ' B' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 500' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . 0.688 ' O ' ' NZ ' ' A' ' 95' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' HOH . . . . . 0.685 ' O ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' HOH . . . . . 0.453 ' O ' ' ND2' ' B' ' 26' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . 0.815 HG22 ' H ' ' A' ' 3' ' ' LEU . 1.9 m . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 113.919 1.081 . . . . 96.89 113.919 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p 71.89 -6.62 1.43 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 126.364 1.865 . . . . 71.93 112.399 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 0.815 ' H ' HG22 ' A' ' 1' ' ' THR . 86.7 mt -68.49 121.02 15.5 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.671 0.272 . . . . 64.19 110.418 -176.103 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.4 p -66.93 168.02 10.6 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 122.1 0.953 . . . . 65.47 110.287 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.32 -49.04 94.71 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 119.004 -1.079 . . . . 65.97 112.312 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 -35.21 98.37 Favored 'Trans proline' 0 C--N 1.349 0.603 0 CA-C-N 121.453 1.555 . . . . 70.57 113.656 176.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -70.15 -34.36 72.93 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 118.897 -1.121 . . . . 65.26 112.39 -177.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -67.85 -41.45 82.9 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.82 -0.752 . . . . 67.36 110.243 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.15 90.33 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.795 0.331 . . . . 65.06 111.194 174.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -45.2 91.24 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.516 -0.474 . . . . 63.34 111.52 175.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.95 -39.37 79.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.076 -1.05 . . . . 59.66 110.241 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -70.48 -40.57 73.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.523 -0.871 . . . . 86.27 110.936 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -67.55 -49.17 64.54 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.896 -0.721 . . . . 83.82 111.79 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -59.39 -44.77 92.73 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.638 -0.425 . . . . 65.59 111.551 177.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -64.82 -35.52 81.36 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.165 -1.014 . . . . 61.4 110.699 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 t -65.72 -41.27 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 118.931 -1.108 . . . . 71.51 109.954 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -60.53 -46.0 91.76 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 122.014 -0.429 . . . . 77.63 110.858 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -49.84 -44.39 49.5 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.795 0.331 . . . . 64.95 111.379 170.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mmm -75.14 -15.72 60.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.872 0.693 . . . . 61.8 112.872 -174.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.3 -35.38 65.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.456 0.571 . . . . 79.54 111.488 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -129.91 54.59 1.84 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.944 0.878 . . . . 93.13 109.974 166.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.22 -27.69 71.01 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.707 -0.759 . . . . 65.34 111.903 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.747 HG13 ' H ' ' A' ' 24' ' ' SER . 2.8 p -24.82 -91.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.694 0 C-N-CA 126.59 1.956 . . . . 113.04 110.221 157.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . 0.747 ' H ' HG13 ' A' ' 23' ' ' VAL . 39.5 p -78.41 -23.58 46.65 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.478 -0.489 . . . . 96.47 112.076 -172.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -58.96 -44.07 91.4 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.599 -0.841 . . . . 76.5 110.546 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.48 -42.02 99.11 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 119.939 -1.124 . . . . 64.63 112.392 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . 0.49 ' HG2' ' HG3' ' A' ' 62' ' ' MET . 15.2 mt-30 -55.85 -46.74 78.11 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 122.543 -0.387 . . . . 92.34 110.916 171.862 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.1 -34.71 89.92 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.741 -0.742 . . . . 70.03 113.446 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -66.14 -37.84 86.69 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 119.958 -0.697 . . . . 68.31 111.208 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -71.04 -41.54 70.67 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.786 -0.766 . . . . 87.14 111.206 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.9 mmt -53.99 -52.89 59.31 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.955 0.407 . . . . 93.37 110.923 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.28 -50.63 61.76 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.918 0.39 . . . . 85.4 111.182 175.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD12 HD13 ' A' ' 113' ' ' ILE . 26.0 tp -60.35 -50.11 74.9 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.767 0.317 . . . . 77.81 111.258 -178.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -65.4 -34.81 79.19 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.17 -0.612 . . . . 86.05 111.541 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -76.16 -37.3 58.09 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 118.928 -1.109 . . . . 112.9 111.659 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.73 74.84 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.704 -0.798 . . . . 96.31 111.49 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' CE1' HD11 ' A' ' 113' ' ' ILE . 43.1 m80 -134.73 87.4 31.02 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.493 -0.929 . . . . 98.9 108.493 -176.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.03 -29.48 89.37 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 C-N-CA 120.831 1.021 . . . . 97.73 114.608 -173.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' OE2' ' HB3' ' A' ' 37' ' ' HIS . 16.2 pm0 -58.55 -22.39 55.52 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.614 0.643 . . . . 119.02 112.49 -178.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 43' ' ' PRO . 11.8 p -67.95 -21.64 65.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.558 0.617 . . . . 87.31 112.504 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mt -63.43 -26.53 68.78 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.317 0.508 . . . . 95.4 111.425 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.4 m -62.35 -48.85 86.29 Favored Pre-proline 0 C--O 1.241 0.642 0 CA-C-O 118.289 -0.862 . . . . 96.04 112.709 -174.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 40' ' ' THR . 29.2 Cg_exo -60.1 -20.13 59.71 Favored 'Trans proline' 0 CA--C 1.513 -0.55 0 CA-C-N 121.25 1.482 . . . . 86.39 113.375 174.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -93.09 2.68 56.62 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.808 0.67 . . . . 79.23 112.808 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -20.02 61.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.497 -0.881 . . . . 99.0 111.904 -167.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.6 82.94 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.168 -0.613 . . . . 85.44 110.431 171.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -77.62 -41.67 37.66 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 112.328 0.492 . . . . 81.75 112.328 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -111.68 -2.14 15.46 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.928 1.084 . . . . 87.65 113.928 -166.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.77 -36.12 64.83 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 119.913 -1.137 . . . . 91.04 114.125 -166.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.0 0.3 87.58 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 123.979 0.8 . . . . 83.73 115.066 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -109.83 143.08 40.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.56 0.68 . . . . 86.79 110.107 179.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 p -80.09 172.58 13.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 84.11 109.109 167.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.39 -41.06 98.36 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 119.678 -0.809 . . . . 99.06 110.568 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.02 96.79 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.264 -0.273 . . . . 86.21 111.245 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.81 -14.48 62.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.852 -0.739 . . . . 87.68 112.848 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.91 -19.67 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.909 0.707 . . . . 78.91 112.909 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -73.38 124.36 25.62 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.239 -0.984 . . . . 137.48 110.323 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 64.55 16.87 10.56 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.962 1.305 . . . . 92.89 112.472 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -74.93 140.12 73.81 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.8 -0.445 . . . . 77.4 109.8 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.64 -34.24 82.63 Favored 'Trans proline' 0 C--O 1.237 0.469 0 N-CA-C 114.154 0.79 . . . . 74.47 114.154 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.69 -31.83 70.09 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 118.87 0.759 . . . . 81.87 111.649 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MET . . . . . 0.49 ' HG3' ' HG2' ' A' ' 27' ' ' GLN . 51.6 tpp -75.74 -34.76 60.33 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.097 -0.641 . . . . 84.13 111.094 177.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.2 -42.75 88.36 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.301 -0.96 . . . . 106.17 110.135 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.69 -49.63 76.74 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.94 -0.304 . . . . 66.7 111.286 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.38 -39.08 92.03 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.471 -0.892 . . . . 70.95 111.13 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 t -67.47 -35.32 78.96 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.291 -0.963 . . . . 74.88 110.77 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.13 -45.17 74.35 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.72 -0.792 . . . . 73.57 111.299 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -69.98 -30.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.367 -1.333 . . . . 62.97 110.057 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.23 -47.34 86.39 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 121.764 -0.585 . . . . 67.37 110.92 171.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.9 m -63.86 -38.19 90.18 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.596 -0.442 . . . . 64.0 111.476 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -61.53 -44.93 96.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.057 -1.057 . . . . 83.36 110.399 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.71 -45.65 87.8 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 119.846 -1.169 . . . . 60.48 112.545 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . 0.52 ' HE1' ' HE1' ' A' ' 111' ' ' TYR . 19.9 tpp -63.15 -44.26 96.01 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.997 -0.681 . . . . 78.2 111.114 177.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m -56.18 -38.55 71.07 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.645 -0.422 . . . . 68.15 111.853 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 p -66.36 -33.58 76.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.078 -0.249 . . . . 69.58 110.934 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -67.44 -52.25 41.81 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.443 -0.903 . . . . 63.21 110.637 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.02 -33.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.264 -0.574 . . . . 56.19 110.438 -176.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.67 -3.02 28.89 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 113.306 0.854 . . . . 76.67 113.306 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -131.12 32.16 4.32 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 118.897 0.771 . . . . 60.27 110.638 -172.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.26 -21.72 66.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.926 -0.579 . . . . 57.33 111.654 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.67 15.67 20.92 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.186 0.439 . . . . 67.83 112.186 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -138.32 73.04 1.42 Allowed 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.719 -1.956 . . . . 60.29 105.719 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.9 -31.12 67.66 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.013 -1.055 . . . . 126.11 112.503 -173.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -52.55 -45.22 66.28 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.552 -0.859 . . . . 70.84 111.629 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mtp -72.35 -39.91 67.77 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.909 -0.717 . . . . 61.71 111.097 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.8 tp -54.94 -46.59 75.0 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.099 -0.64 . . . . 56.28 110.971 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.01 -38.74 80.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 C-N-CA 119.875 -0.73 . . . . 76.66 110.943 -174.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.68 -50.83 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 118.759 -1.176 . . . . 63.53 110.046 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 62.1 mt -53.39 -42.22 66.7 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.663 -0.415 . . . . 65.82 111.403 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.5 mt -70.16 -39.37 76.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 121.025 0.441 . . . . 64.08 110.351 -176.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -70.49 -38.63 74.38 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.546 -0.462 . . . . 68.89 110.734 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' NZ ' ' OE1' ' B' ' 66' ' ' GLN . 10.2 mtpp -52.8 -45.92 67.42 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 71.6 110.095 173.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' MET . . . . . 0.489 ' HG2' ' CE1' ' A' ' 97' ' ' HIS . 11.3 tmm? -67.9 -40.78 83.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.17 -0.468 . . . . 91.5 111.164 177.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' A' ' 143' ' ' LEU . . . -60.56 -38.75 85.55 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.908 -0.317 . . . . 68.17 111.387 178.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . 0.688 ' NZ ' ' O ' ' A' ' 601' ' ' HOH . 3.6 tttm -59.97 -60.32 4.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.899 0.38 . . . . 102.09 111.264 175.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.28 -39.83 67.26 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.001 -0.437 . . . . 65.57 111.343 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 93' ' ' MET . 44.8 m80 -75.72 -38.78 58.26 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 77.78 112.732 175.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.66 -29.57 66.68 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 118.88 -1.128 . . . . 79.55 111.084 177.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.04 -15.51 63.48 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.833 0.679 . . . . 99.12 112.833 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.741 ' HB2' HD12 ' A' ' 102' ' ' ILE . 15.1 mtt85 -104.53 28.79 6.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 118.573 0.624 . . . . 98.1 112.608 179.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.62 5.39 12.54 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 115.531 0.972 . . . . 84.36 115.531 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 100' ' ' ARG . 6.2 mt -81.45 115.42 23.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.875 1.338 . . . . 87.41 108.734 -176.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . 0.513 ' HA ' ' HE1' ' A' ' 147' ' ' MET . 42.2 mmt-85 -76.2 170.99 15.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.615 0.721 . . . . 135.26 109.996 177.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.36 60.72 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.733 -0.667 . . . . 91.49 112.027 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.1 p -66.5 -33.17 75.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.095 -0.642 . . . . 89.32 111.506 172.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -67.24 -29.41 69.04 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 112.094 0.405 . . . . 100.05 112.094 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 mt -83.56 -33.72 25.36 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.701 -0.8 . . . . 92.99 112.297 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -41.85 91.43 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.936 -1.105 . . . . 105.57 110.722 173.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . 0.749 ' O ' HD12 ' A' ' 113' ' ' ILE . 1.3 m -67.53 -37.23 82.44 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.506 -0.877 . . . . 94.02 110.9 -177.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.83 97.91 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.379 -0.928 . . . . 87.7 110.787 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TYR . . . . . 0.52 ' HE1' ' HE1' ' A' ' 73' ' ' MET . 19.9 m-85 -56.6 -36.86 69.89 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 121.011 -0.276 . . . . 91.11 111.056 177.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -59.44 -51.19 70.94 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.184 -0.607 . . . . 103.55 110.757 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 109' ' ' THR . 2.0 mp -60.38 -39.66 81.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.974 0.416 . . . . 96.32 110.766 -179.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.48 -41.3 93.93 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.119 -0.632 . . . . 74.91 111.295 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.26 -40.49 87.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.55 -0.46 . . . . 76.04 110.417 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -70.58 -40.64 73.17 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.805 -0.758 . . . . 116.99 110.965 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -51.89 -46.0 64.38 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.148 -0.621 . . . . 78.62 110.615 172.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mtp -66.1 -39.65 90.13 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.548 -0.296 . . . . 74.69 111.333 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 129' ' ' LYS . 3.9 tt0 -66.14 -49.63 66.77 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.739 -0.784 . . . . 138.32 110.891 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -22.75 3.21 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.576 0.584 . . . . 116.38 112.576 179.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -113.36 19.73 16.74 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.625 0.602 . . . . 79.2 112.625 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 60.47 31.86 20.41 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.243 0.617 . . . . 99.53 111.761 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -82.02 -35.68 28.59 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.084 -0.385 . . . . 74.48 111.547 171.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.1 mmt -65.29 90.81 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 123.64 0.776 . . . . 76.7 112.993 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . 0.525 HG22 ' HB2' ' A' ' 128' ' ' ALA . 2.7 m -58.56 171.41 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 N-CA-C 108.869 -0.789 . . . . 110.89 108.869 169.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.33 126.5 31.09 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 120.763 -0.732 . . . . 88.41 113.103 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.89 -2.99 30.42 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 116.167 1.227 . . . . 87.67 116.167 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . 0.525 ' HB2' HG22 ' A' ' 125' ' ' VAL . . . -69.49 -29.92 67.68 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.956 1.378 . . . . 67.55 112.662 178.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 119' ' ' GLU . 4.3 ttmt -66.21 -47.0 75.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 118.001 -1.479 . . . . 105.81 110.646 -179.349 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -59.98 -40.57 89.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.732 -0.387 . . . . 76.58 111.191 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.52 86.89 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.536 -0.866 . . . . 66.34 110.226 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' TRP . . . . . 0.4 ' O ' HG13 ' A' ' 136' ' ' VAL . 15.9 m95 -67.15 -36.53 82.05 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.231 -0.588 . . . . 63.94 111.537 -177.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.98 -42.48 76.49 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.015 -1.074 . . . . 118.8 110.23 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.45 -45.84 85.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.999 -0.371 . . . . 72.7 109.999 172.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 139' ' ' ILE . 12.6 t80 -61.89 -40.92 97.1 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.262 0.467 . . . . 71.83 112.262 -178.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 132' ' ' TRP . 9.0 m -78.29 -22.72 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 118.431 -1.308 . . . . 78.97 112.004 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.3 -48.68 84.09 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.269 -1.443 . . . . 74.0 111.967 166.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.52 -46.2 80.7 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 122.109 -0.642 . . . . 81.33 111.398 175.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . 0.501 HG22 HD11 ' A' ' 143' ' ' LEU . 17.3 mt -57.87 -40.3 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 119.49 -0.884 . . . . 70.64 109.833 178.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' CYS . . . . . 0.528 ' HA ' HD12 ' A' ' 143' ' ' LEU . 43.1 m -78.34 -40.4 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.529 -0.868 . . . . 92.38 112.166 -170.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -63.77 -37.87 88.99 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 118.076 -1.45 . . . . 108.49 110.063 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 37.0 m -59.2 -45.26 91.54 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.679 -0.409 . . . . 83.03 111.382 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' A' ' 94' ' ' ALA . 1.4 mt -68.8 -51.97 35.19 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.581 -0.847 . . . . 97.35 110.978 177.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLY . . . . . 0.541 ' O ' ' HG2' ' A' ' 148' ' ' LYS . . . -56.62 -33.07 62.1 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.331 -0.938 . . . . 100.38 112.656 -175.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.9 -64.59 0.83 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.114 0.483 . . . . 101.27 111.34 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.8 -25.81 21.06 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.472 0.545 . . . . 99.11 112.472 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' MET . . . . . 0.513 ' HE1' ' HA ' ' A' ' 103' ' ' ARG . 5.1 mtp -83.96 -38.24 21.24 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.198 -1.001 . . . . 97.61 112.469 -170.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 144' ' ' GLY . 17.6 pttt -73.02 -23.68 60.64 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.13 -1.028 . . . . 123.33 112.13 178.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLU . . . . . 0.458 ' OE2' ' HG3' ' A' ' 148' ' ' LYS . 1.5 mp0 -86.29 52.53 2.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.998 0.428 . . . . 167.83 111.016 170.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 tt -157.46 119.75 3.83 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.759 -0.83 . . . . 133.28 108.759 -170.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 124.289 1.036 . . . . 127.97 113.452 178.228 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 111.872 0.323 . . . . 103.6 111.872 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -53.92 -33.66 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.889 -0.724 . . . . 91.24 111.009 167.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.9 7.26 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.78 -0.724 . . . . 84.56 113.446 -160.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.86 141.84 38.87 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.54 0.67 . . . . 84.83 110.067 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -82.5 161.66 22.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.62 0.724 . . . . 90.97 110.258 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.58 -44.66 59.78 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.958 -1.019 . . . . 83.13 113.656 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -58.0 -49.35 13.03 Favored 'Trans proline' 0 N--CA 1.477 0.547 0 N-CA-C 113.576 0.568 . . . . 95.5 113.576 167.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -58.13 -39.75 79.54 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.124 -0.631 . . . . 100.41 111.233 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -65.14 -38.99 92.36 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.979 -0.688 . . . . 88.19 110.658 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.19 82.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.975 -0.29 . . . . 95.15 111.321 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.67 83.18 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.969 -0.692 . . . . 99.1 111.472 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.34 -38.24 83.16 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.787 -0.765 . . . . 85.36 110.766 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -70.82 -31.74 68.58 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.906 -0.718 . . . . 105.38 111.428 -175.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 91.1 p -89.83 -39.81 12.85 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.231 0.456 . . . . 100.92 112.231 -176.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.7 p -60.23 -39.52 86.98 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.99 -0.684 . . . . 79.08 111.065 170.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -69.74 -22.95 63.33 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.911 -0.716 . . . . 67.35 111.946 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -36.35 82.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 118.075 -1.45 . . . . 68.48 109.733 172.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -58.45 -46.8 85.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.657 0.265 . . . . 89.97 111.376 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.35 -37.12 84.44 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.996 -0.44 . . . . 61.99 111.66 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 66.9 mmm -78.09 -18.0 56.26 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 121.832 -0.543 . . . . 56.47 111.926 -174.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -59.53 -21.32 60.05 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.215 0.322 . . . . 69.54 111.32 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -140.02 68.37 1.36 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 106.897 -1.52 . . . . 65.2 106.897 170.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.92 28.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.15 -0.932 . . . . 54.96 112.004 -169.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 28' ' ' THR . 41.2 t -68.1 -48.78 72.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.637 -0.425 . . . . 57.96 110.69 -174.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -52.79 -47.86 67.27 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 122.093 -0.38 . . . . 67.17 111.065 174.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.92 -27.6 61.11 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.495 -1.282 . . . . 65.29 111.849 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.86 55.18 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.502 -1.333 . . . . 67.8 112.425 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.479 HG23 ' O ' ' B' ' 24' ' ' VAL . 4.2 p -65.44 -39.67 92.36 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 117.043 -1.863 . . . . 81.67 110.743 178.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASN . . . . . 0.417 ' HB3' ' HE2' ' B' ' 118' ' ' TYR . 62.2 m-20 -58.1 -47.05 84.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.214 0.531 . . . . 84.72 110.294 177.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -51.01 -51.17 55.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.283 -0.417 . . . . 66.44 111.016 172.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . 0.685 ' OH ' ' O ' ' B' ' 601' ' ' HOH . 16.8 m-85 -58.02 -42.45 85.32 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.505 -0.478 . . . . 73.36 111.649 -178.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' B' ' 28' ' ' THR . 31.0 mmt -60.09 -49.78 76.3 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.288 -0.257 . . . . 90.69 111.11 177.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -52.93 -39.8 63.12 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.415 -0.514 . . . . 83.37 110.897 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.5 tp -68.58 -48.72 63.47 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.691 0.256 . . . . 69.07 111.691 -175.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -64.8 -40.48 95.3 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.039 -0.664 . . . . 70.6 111.122 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.2 -42.19 90.32 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.921 -0.487 . . . . 86.79 111.484 174.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.62 -36.27 24.01 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.648 -0.821 . . . . 80.82 112.449 -173.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.03 80.62 70.69 Favored Pre-proline 0 C--O 1.241 0.633 0 N-CA-C 108.168 -1.049 . . . . 105.35 108.168 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -54.4 -26.97 46.74 Favored 'Trans proline' 0 C--O 1.235 0.357 0 N-CA-C 114.474 0.913 . . . . 83.23 114.474 -173.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.68 -39.93 71.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.082 0.855 . . . . 137.67 112.258 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 29.4 p -54.31 -12.0 0.6 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.412 0.523 . . . . 80.74 112.412 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -23.75 52.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 112.941 0.719 . . . . 94.46 112.941 175.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.7 m -58.97 -43.99 98.31 Favored Pre-proline 0 C--O 1.244 0.776 0 CA-C-O 117.739 -1.124 . . . . 85.65 113.82 -176.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . 0.429 ' HG2' ' HAC' ' B' ' 500' ' ' HEM . 52.2 Cg_exo -61.53 -32.54 88.1 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 CA-C-N 121.688 1.639 . . . . 80.93 114.712 178.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.89 6.89 14.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 114.19 1.181 . . . . 70.75 114.19 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -66.14 -28.04 68.49 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 117.778 -1.569 . . . . 82.46 111.546 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -68.13 -44.01 77.05 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.29 -0.964 . . . . 90.22 110.717 173.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.42 -47.17 83.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.766 -0.374 . . . . 79.37 111.291 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.18 25.22 2.58 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 113.57 0.952 . . . . 83.31 113.57 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' B' ' 609' ' ' HOH . 1.2 pt-20 -35.34 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.366 1.067 . . . . 162.72 112.772 -174.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -103.61 55.95 0.74 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 139.3 110.849 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.57 107.81 14.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 107.543 -1.28 . . . . 100.02 107.543 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' SER . . . . . 0.401 ' OG ' ' HG2' ' B' ' 56' ' ' GLN . 7.2 p -73.32 168.15 19.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.043 0.925 . . . . 114.11 110.369 175.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -76.03 -26.35 56.53 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.586 -0.846 . . . . 126.95 111.924 -171.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.16 -30.29 71.2 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.177 -0.609 . . . . 128.61 110.923 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLN . . . . . 0.401 ' HG2' ' OG ' ' B' ' 53' ' ' SER . 0.6 OUTLIER -103.41 0.35 31.12 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.233 0.827 . . . . 125.08 113.233 -175.194 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptp -84.18 -30.92 25.41 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 117.978 -1.489 . . . . 95.05 113.425 -168.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.6 m -55.68 148.8 15.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 117.484 -1.686 . . . . 92.41 107.96 156.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 66.23 -1.75 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.933 0.893 . . . . 99.38 113.362 176.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -84.2 140.95 39.63 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 119.322 0.964 . . . . 70.85 110.589 -177.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -55.89 -42.05 71.0 Favored 'Trans proline' 0 C--O 1.233 0.256 0 CA-C-O 118.096 -0.877 . . . . 59.47 114.257 -173.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -52.21 -49.06 64.68 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.92 1.236 . . . . 68.52 110.73 171.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 43.6 tpp -69.71 -35.44 75.06 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 70.39 111.904 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -63.59 -47.72 80.29 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.951 -0.7 . . . . 65.29 109.676 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.45 -39.26 83.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.45 -0.341 . . . . 58.9 111.56 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLN . . . . . 0.542 ' OE1' ' NZ ' ' A' ' 92' ' ' LYS . 54.0 tp60 -69.0 -38.89 79.53 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 118.469 -1.292 . . . . 58.45 110.963 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.89 76.02 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.112 -1.035 . . . . 61.31 110.219 174.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 tp -66.24 -52.69 45.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.753 -0.203 . . . . 56.87 110.615 -176.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 m -61.51 -35.2 65.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 C-N-CA 119.618 -0.833 . . . . 70.7 110.238 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.17 -44.21 96.07 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 122.194 -0.316 . . . . 61.4 111.39 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 91.6 m -61.67 -45.35 94.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.037 -0.665 . . . . 61.59 110.613 175.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.77 -40.63 93.22 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.741 -0.384 . . . . 60.93 110.6 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.08 55.17 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.674 -1.251 . . . . 59.12 112.024 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' MET . . . . . 0.515 ' HE1' ' HE1' ' B' ' 112' ' ' TYR . 11.8 tpp -66.14 -31.91 73.04 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.362 -0.935 . . . . 85.91 111.518 -177.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -68.41 -41.0 81.07 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.065 -1.054 . . . . 66.01 110.749 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.9 p -56.92 -27.77 61.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.056 0.391 . . . . 68.95 112.056 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -79.83 -50.3 10.72 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.498 -0.881 . . . . 62.16 111.573 172.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.34 -44.05 97.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.117 0.484 . . . . 68.91 110.428 -175.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.63 -1.71 25.92 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.459 0.911 . . . . 82.13 113.459 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -126.41 32.62 5.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 71.84 110.748 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.15 -12.66 60.97 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 111.971 0.36 . . . . 81.87 111.971 176.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -100.28 -4.66 28.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.446 0.536 . . . . 109.89 112.446 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -119.55 89.54 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.874 -1.158 . . . . 98.09 107.874 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -63.4 -42.85 98.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 98.5 112.487 -169.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.837 -0.539 . . . . 119.55 111.316 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 33.4 t -68.42 -48.89 70.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.054 0.454 . . . . 74.2 109.979 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 62.7 tp -45.73 -46.22 14.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.269 0.557 . . . . 65.26 110.526 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.01 -42.17 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.088 -0.506 . . . . 79.52 111.265 -172.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -73.82 -28.99 25.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 118.97 -1.092 . . . . 79.92 110.899 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.23 -49.02 78.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.524 -0.87 . . . . 72.97 110.639 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LEU . . . . . 0.55 HD22 HG23 ' B' ' 140' ' ' ILE . 61.8 mt -61.9 -39.21 91.18 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 120.915 -0.314 . . . . 69.21 110.963 178.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -71.85 -34.99 69.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 118.712 -1.195 . . . . 81.82 111.005 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LYS . . . . . 0.705 ' NZ ' ' O1D' ' A' ' 500' ' ' HEM . 5.1 mtpp -56.78 -40.13 75.33 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.827 -1.149 . . . . 70.09 110.871 174.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 8.5 ttt -73.26 -43.56 60.88 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.462 -0.495 . . . . 76.87 111.066 -178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ALA . . . . . 0.805 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . . . -57.37 -40.59 78.45 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.846 -0.742 . . . . 77.37 111.185 -180.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -65.55 -43.01 91.24 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.065 -0.654 . . . . 89.2 110.366 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.79 -50.72 72.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.9 0.381 . . . . 73.77 111.097 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -69.56 -42.05 75.06 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.364 -0.534 . . . . 80.98 111.636 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 151' ' ' ARG . 57.9 t80 -53.08 -41.41 64.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 119.25 -0.98 . . . . 89.31 111.175 175.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -71.76 -1.03 12.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.439 -0.904 . . . . 110.83 112.851 -178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . 0.554 ' HB2' HD12 ' B' ' 103' ' ' ILE . 25.2 mtt85 -106.86 11.4 30.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.054 0.843 . . . . 96.9 112.279 171.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.75 85.3 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-O 118.849 -0.973 . . . . 83.1 115.361 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ILE . . . . . 0.678 ' O ' ' NH1' ' B' ' 104' ' ' ARG . 4.9 mp -72.02 143.89 13.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 118.549 1.174 . . . . 82.88 109.147 175.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ARG . . . . . 0.678 ' NH1' ' O ' ' B' ' 103' ' ' ILE . 40.6 mmt-85 -125.25 171.47 10.34 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.35 -0.981 . . . . 99.13 108.35 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -57.77 -35.97 53.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.188 -0.914 . . . . 100.24 110.525 -176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.09 -46.83 61.93 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.916 0.389 . . . . 113.63 110.917 178.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -78.33 -35.29 47.86 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.263 -0.975 . . . . 102.69 111.072 -174.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.71 -43.97 94.99 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.276 -0.969 . . . . 69.04 110.823 176.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -59.11 -45.0 92.02 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.472 -0.491 . . . . 102.28 111.289 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -58.01 -42.21 84.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.347 -0.541 . . . . 95.19 111.349 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.11 -49.02 83.08 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 120.367 -0.92 . . . . 68.07 112.447 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' TYR . . . . . 0.515 ' HE1' ' HE1' ' B' ' 74' ' ' MET . 32.8 m-85 -56.44 -37.92 70.91 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.325 -0.55 . . . . 72.91 110.972 179.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.79 -38.47 95.63 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 120.081 -1.056 . . . . 69.91 112.3 178.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.63 -44.3 98.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 122.21 -0.582 . . . . 68.15 110.166 172.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.16 -44.55 94.9 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.125 -0.359 . . . . 68.38 111.584 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.73 -43.62 98.33 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.299 -0.56 . . . . 84.23 111.26 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -64.24 -35.28 80.3 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.175 -1.01 . . . . 110.47 111.373 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' B' ' 29' ' ' ASN . 35.1 t80 -65.14 -46.36 81.23 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.559 -0.456 . . . . 76.28 111.039 176.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.67 -13.77 35.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.213 0.449 . . . . 93.1 112.213 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -89.93 -34.18 16.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.61 0.641 . . . . 101.25 112.473 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.48 -41.77 23.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.26 0.466 . . . . 98.59 112.26 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -107.9 -74.73 0.65 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.402 . . . . 102.58 110.581 -169.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.01 151.23 7.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.658 -1.238 . . . . 110.2 107.658 155.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -112.64 52.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 115.13 -2.628 . . . . 135.35 112.632 -170.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 2.7 m -65.77 132.66 31.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.615 -0.883 . . . . 100.25 108.615 172.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -165.67 157.13 14.18 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.149 -0.686 . . . . 147.03 109.149 -173.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.62 -114.8 2.88 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.025 -0.989 . . . . 117.18 113.406 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.8 p -64.53 -36.75 85.21 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 116.44 111.551 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 12.7 p -74.82 -9.13 58.26 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.382 -0.927 . . . . 133.29 112.926 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -96.88 -41.53 8.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 119.137 0.88 . . . . 122.94 113.239 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.05 -25.61 58.95 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.778 -0.769 . . . . 108.67 111.178 170.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.09 71.07 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.683 -0.407 . . . . 80.13 111.015 175.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -66.57 -40.3 88.92 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.622 -0.431 . . . . 74.27 111.303 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -56.16 -57.64 11.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.003 0.43 . . . . 112.71 111.191 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.15 -45.74 86.88 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.239 -0.288 . . . . 95.84 110.973 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' B' ' 140' ' ' ILE . 9.4 t80 -53.35 -50.14 65.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.229 0.455 . . . . 76.83 112.229 175.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 41.3 mt -67.6 -42.91 87.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.077 -0.649 . . . . 70.88 110.829 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' B' ' 142' ' ' ARG . . . -51.01 -45.51 61.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.412 -0.515 . . . . 80.99 111.006 174.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 139' ' ' TYR . . . . . 0.451 ' O ' HG23 ' B' ' 143' ' ' VAL . 91.2 t80 -62.88 -55.76 23.33 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.804 -0.358 . . . . 90.73 111.137 -179.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ILE . . . . . 0.55 HG23 HD22 ' B' ' 91' ' ' LEU . 65.3 mt -43.2 -44.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 123.538 0.735 . . . . 72.58 112.467 174.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.87 -34.81 66.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 119.199 -1.0 . . . . 80.89 111.695 -177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' B' ' 138' ' ' ALA . 48.2 mtm-85 -63.46 -46.61 85.44 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.496 -0.882 . . . . 112.93 110.551 175.798 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 143' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 139' ' ' TYR . 6.7 t -58.01 -57.59 9.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 121.075 0.464 . . . . 90.67 110.738 175.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLN . . . . . 0.805 ' HG2' ' HB2' ' B' ' 95' ' ' ALA . 13.2 mt-30 -61.88 -42.87 99.58 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.828 -0.349 . . . . 85.15 111.307 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' B' ' 149' ' ' LYS . . . -61.67 -50.69 63.57 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.431 -0.89 . . . . 90.46 113.135 -178.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -66.02 -40.86 91.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 119.524 -0.87 . . . . 99.58 110.925 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -59.99 -29.8 68.7 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.779 -0.768 . . . . 99.22 110.537 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' MET . . . . . 0.578 ' O ' ' HB2' ' B' ' 151' ' ' ARG . 50.9 mtm -90.1 -10.74 43.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 113.736 1.013 . . . . 111.38 113.736 -179.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 149' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 145' ' ' GLY . 15.4 mtmt -92.17 -28.54 17.0 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.721 -1.192 . . . . 115.38 111.936 171.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.13 -18.2 64.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.173 -0.611 . . . . 144.8 110.47 164.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' B' ' 148' ' ' MET . 0.6 OUTLIER -58.51 -61.84 2.29 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.921 0.488 . . . . 142.76 111.508 172.387 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.533 0.296 0 C-N-CA 124.548 1.139 . . . . 125.12 113.498 -166.581 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 500' ' ' HEM . . . . . 0.705 ' O1D' ' NZ ' ' B' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 500' ' ' HEM . . . . . 0.586 ' HHC' HBB2 ' B' ' 500' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . 0.688 ' O ' ' NZ ' ' A' ' 95' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' HOH . . . . . 0.685 ' O ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 609' ' ' HOH . . . . . 0.551 ' O ' ' HG3' ' B' ' 50' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . 0.815 HG22 ' H ' ' A' ' 3' ' ' LEU . 1.9 m . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 113.919 1.081 . . . . 96.89 113.919 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.5 p 71.89 -6.62 1.43 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 126.364 1.865 . . . . 71.93 112.399 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.815 ' H ' HG22 ' A' ' 1' ' ' THR . 86.7 mt -68.49 121.02 15.5 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.671 0.272 . . . . 64.19 110.418 -176.103 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.4 p -66.93 168.02 10.6 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 122.1 0.953 . . . . 65.47 110.287 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -55.32 -49.04 94.71 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 119.004 -1.079 . . . . 65.97 112.312 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 -35.21 98.37 Favored 'Trans proline' 0 C--N 1.349 0.603 0 CA-C-N 121.453 1.555 . . . . 70.57 113.656 176.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -70.15 -34.36 72.93 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 118.897 -1.121 . . . . 65.26 112.39 -177.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -67.85 -41.45 82.9 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.82 -0.752 . . . . 67.36 110.243 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.15 90.33 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.795 0.331 . . . . 65.06 111.194 174.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -45.2 91.24 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.516 -0.474 . . . . 63.34 111.52 175.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.95 -39.37 79.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.076 -1.05 . . . . 59.66 110.241 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -70.48 -40.57 73.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.523 -0.871 . . . . 86.27 110.936 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -67.55 -49.17 64.54 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.896 -0.721 . . . . 83.82 111.79 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -59.39 -44.77 92.73 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.638 -0.425 . . . . 65.59 111.551 177.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -64.82 -35.52 81.36 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.165 -1.014 . . . . 61.4 110.699 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 t -65.72 -41.27 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 118.931 -1.108 . . . . 71.51 109.954 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -60.53 -46.0 91.76 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 122.014 -0.429 . . . . 77.63 110.858 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -49.84 -44.39 49.5 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.795 0.331 . . . . 64.95 111.379 170.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.1 mmm -75.14 -15.72 60.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.872 0.693 . . . . 61.8 112.872 -174.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.3 -35.38 65.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.456 0.571 . . . . 79.54 111.488 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -129.91 54.59 1.84 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.944 0.878 . . . . 93.13 109.974 166.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.22 -27.69 71.01 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.707 -0.759 . . . . 65.34 111.903 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.747 HG13 ' H ' ' A' ' 24' ' ' SER . 2.8 p -24.82 -91.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.694 0 C-N-CA 126.59 1.956 . . . . 113.04 110.221 157.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . 0.747 ' H ' HG13 ' A' ' 23' ' ' VAL . 39.5 p -78.41 -23.58 46.65 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.478 -0.489 . . . . 96.47 112.076 -172.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -58.96 -44.07 91.4 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.599 -0.841 . . . . 76.5 110.546 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.48 -42.02 99.11 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 119.939 -1.124 . . . . 64.63 112.392 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.49 ' HG2' ' HG3' ' A' ' 62' ' ' MET . 15.2 mt-30 -55.85 -46.74 78.11 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 122.543 -0.387 . . . . 92.34 110.916 171.862 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.1 -34.71 89.92 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.741 -0.742 . . . . 70.03 113.446 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -66.14 -37.84 86.69 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 119.958 -0.697 . . . . 68.31 111.208 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -71.04 -41.54 70.67 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.786 -0.766 . . . . 87.14 111.206 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.9 mmt -53.99 -52.89 59.31 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.955 0.407 . . . . 93.37 110.923 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.28 -50.63 61.76 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.918 0.39 . . . . 85.4 111.182 175.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD12 HD13 ' A' ' 113' ' ' ILE . 26.0 tp -60.35 -50.11 74.9 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.767 0.317 . . . . 77.81 111.258 -178.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -65.4 -34.81 79.19 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.17 -0.612 . . . . 86.05 111.541 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -76.16 -37.3 58.09 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 118.928 -1.109 . . . . 112.9 111.659 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.73 74.84 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.704 -0.798 . . . . 96.31 111.49 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' CE1' HD11 ' A' ' 113' ' ' ILE . 43.1 m80 -134.73 87.4 31.02 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.493 -0.929 . . . . 98.9 108.493 -176.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.03 -29.48 89.37 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 C-N-CA 120.831 1.021 . . . . 97.73 114.608 -173.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' OE2' ' HB3' ' A' ' 37' ' ' HIS . 16.2 pm0 -58.55 -22.39 55.52 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.614 0.643 . . . . 119.02 112.49 -178.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 43' ' ' PRO . 11.8 p -67.95 -21.64 65.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.558 0.617 . . . . 87.31 112.504 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mt -63.43 -26.53 68.78 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.317 0.508 . . . . 95.4 111.425 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.4 m -62.35 -48.85 86.29 Favored Pre-proline 0 C--O 1.241 0.642 0 CA-C-O 118.289 -0.862 . . . . 96.04 112.709 -174.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 40' ' ' THR . 29.2 Cg_exo -60.1 -20.13 59.71 Favored 'Trans proline' 0 CA--C 1.513 -0.55 0 CA-C-N 121.25 1.482 . . . . 86.39 113.375 174.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -93.09 2.68 56.62 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 112.808 0.67 . . . . 79.23 112.808 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -20.02 61.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.497 -0.881 . . . . 99.0 111.904 -167.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.6 82.94 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.168 -0.613 . . . . 85.44 110.431 171.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -77.62 -41.67 37.66 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 112.328 0.492 . . . . 81.75 112.328 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -111.68 -2.14 15.46 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.928 1.084 . . . . 87.65 113.928 -166.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.77 -36.12 64.83 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 119.913 -1.137 . . . . 91.04 114.125 -166.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.0 0.3 87.58 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 123.979 0.8 . . . . 83.73 115.066 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -109.83 143.08 40.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.56 0.68 . . . . 86.79 110.107 179.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 p -80.09 172.58 13.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.109 -0.7 . . . . 84.11 109.109 167.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.39 -41.06 98.36 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 119.678 -0.809 . . . . 99.06 110.568 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.02 96.79 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.264 -0.273 . . . . 86.21 111.245 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.81 -14.48 62.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.852 -0.739 . . . . 87.68 112.848 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.91 -19.67 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.909 0.707 . . . . 78.91 112.909 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -73.38 124.36 25.62 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.239 -0.984 . . . . 137.48 110.323 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 64.55 16.87 10.56 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.962 1.305 . . . . 92.89 112.472 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -74.93 140.12 73.81 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.8 -0.445 . . . . 77.4 109.8 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.64 -34.24 82.63 Favored 'Trans proline' 0 C--O 1.237 0.469 0 N-CA-C 114.154 0.79 . . . . 74.47 114.154 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -69.69 -31.83 70.09 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 118.87 0.759 . . . . 81.87 111.649 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MET . . . . . 0.49 ' HG3' ' HG2' ' A' ' 27' ' ' GLN . 51.6 tpp -75.74 -34.76 60.33 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.097 -0.641 . . . . 84.13 111.094 177.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.2 -42.75 88.36 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.301 -0.96 . . . . 106.17 110.135 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.69 -49.63 76.74 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.94 -0.304 . . . . 66.7 111.286 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.38 -39.08 92.03 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.471 -0.892 . . . . 70.95 111.13 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 t -67.47 -35.32 78.96 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.291 -0.963 . . . . 74.88 110.77 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.13 -45.17 74.35 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.72 -0.792 . . . . 73.57 111.299 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -69.98 -30.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.367 -1.333 . . . . 62.97 110.057 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.23 -47.34 86.39 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 121.764 -0.585 . . . . 67.37 110.92 171.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.9 m -63.86 -38.19 90.18 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.596 -0.442 . . . . 64.0 111.476 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -61.53 -44.93 96.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.057 -1.057 . . . . 83.36 110.399 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.71 -45.65 87.8 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 119.846 -1.169 . . . . 60.48 112.545 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . 0.52 ' HE1' ' HE1' ' A' ' 111' ' ' TYR . 19.9 tpp -63.15 -44.26 96.01 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.997 -0.681 . . . . 78.2 111.114 177.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m -56.18 -38.55 71.07 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.645 -0.422 . . . . 68.15 111.853 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 p -66.36 -33.58 76.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 121.078 -0.249 . . . . 69.58 110.934 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -67.44 -52.25 41.81 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.443 -0.903 . . . . 63.21 110.637 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.02 -33.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.264 -0.574 . . . . 56.19 110.438 -176.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.67 -3.02 28.89 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 113.306 0.854 . . . . 76.67 113.306 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -131.12 32.16 4.32 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 118.897 0.771 . . . . 60.27 110.638 -172.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.26 -21.72 66.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.926 -0.579 . . . . 57.33 111.654 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -111.67 15.67 20.92 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.186 0.439 . . . . 67.83 112.186 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -138.32 73.04 1.42 Allowed 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.719 -1.956 . . . . 60.29 105.719 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.9 -31.12 67.66 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.013 -1.055 . . . . 126.11 112.503 -173.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -52.55 -45.22 66.28 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.552 -0.859 . . . . 70.84 111.629 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mtp -72.35 -39.91 67.77 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.909 -0.717 . . . . 61.71 111.097 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.8 tp -54.94 -46.59 75.0 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.099 -0.64 . . . . 56.28 110.971 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.01 -38.74 80.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 C-N-CA 119.875 -0.73 . . . . 76.66 110.943 -174.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.68 -50.83 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 118.759 -1.176 . . . . 63.53 110.046 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 62.1 mt -53.39 -42.22 66.7 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.663 -0.415 . . . . 65.82 111.403 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 68.5 mt -70.16 -39.37 76.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 121.025 0.441 . . . . 64.08 110.351 -176.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -70.49 -38.63 74.38 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.546 -0.462 . . . . 68.89 110.734 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' NZ ' ' OE1' ' B' ' 66' ' ' GLN . 10.2 mtpp -52.8 -45.92 67.42 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 71.6 110.095 173.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' MET . . . . . 0.489 ' HG2' ' CE1' ' A' ' 97' ' ' HIS . 11.3 tmm? -67.9 -40.78 83.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.17 -0.468 . . . . 91.5 111.164 177.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' A' ' 143' ' ' LEU . . . -60.56 -38.75 85.55 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.908 -0.317 . . . . 68.17 111.387 178.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.688 ' NZ ' ' O ' ' A' ' 601' ' ' HOH . 3.6 tttm -59.97 -60.32 4.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.899 0.38 . . . . 102.09 111.264 175.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.1 mt -54.28 -39.83 67.26 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.001 -0.437 . . . . 65.57 111.343 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 93' ' ' MET . 44.8 m80 -75.72 -38.78 58.26 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 77.78 112.732 175.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.66 -29.57 66.68 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 118.88 -1.128 . . . . 79.55 111.084 177.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.04 -15.51 63.48 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.833 0.679 . . . . 99.12 112.833 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.741 ' HB2' HD12 ' A' ' 102' ' ' ILE . 15.1 mtt85 -104.53 28.79 6.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 118.573 0.624 . . . . 98.1 112.608 179.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.62 5.39 12.54 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 115.531 0.972 . . . . 84.36 115.531 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 100' ' ' ARG . 6.2 mt -81.45 115.42 23.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.875 1.338 . . . . 87.41 108.734 -176.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.513 ' HA ' ' HE1' ' A' ' 147' ' ' MET . 42.2 mmt-85 -76.2 170.99 15.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.615 0.721 . . . . 135.26 109.996 177.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.36 60.72 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.733 -0.667 . . . . 91.49 112.027 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.1 p -66.5 -33.17 75.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.095 -0.642 . . . . 89.32 111.506 172.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -67.24 -29.41 69.04 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 112.094 0.405 . . . . 100.05 112.094 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 mt -83.56 -33.72 25.36 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 119.701 -0.8 . . . . 92.99 112.297 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -41.85 91.43 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.936 -1.105 . . . . 105.57 110.722 173.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . 0.749 ' O ' HD12 ' A' ' 113' ' ' ILE . 1.3 m -67.53 -37.23 82.44 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.506 -0.877 . . . . 94.02 110.9 -177.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.83 97.91 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.379 -0.928 . . . . 87.7 110.787 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.52 ' HE1' ' HE1' ' A' ' 73' ' ' MET . 19.9 m-85 -56.6 -36.86 69.89 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 121.011 -0.276 . . . . 91.11 111.056 177.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -59.44 -51.19 70.94 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.184 -0.607 . . . . 103.55 110.757 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 109' ' ' THR . 2.0 mp -60.38 -39.66 81.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.974 0.416 . . . . 96.32 110.766 -179.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.48 -41.3 93.93 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.119 -0.632 . . . . 74.91 111.295 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.26 -40.49 87.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.55 -0.46 . . . . 76.04 110.417 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -70.58 -40.64 73.17 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.805 -0.758 . . . . 116.99 110.965 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -51.89 -46.0 64.38 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.148 -0.621 . . . . 78.62 110.615 172.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mtp -66.1 -39.65 90.13 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.548 -0.296 . . . . 74.69 111.333 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 129' ' ' LYS . 3.9 tt0 -66.14 -49.63 66.77 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.739 -0.784 . . . . 138.32 110.891 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -22.75 3.21 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 112.576 0.584 . . . . 116.38 112.576 179.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -113.36 19.73 16.74 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.625 0.602 . . . . 79.2 112.625 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 60.47 31.86 20.41 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.243 0.617 . . . . 99.53 111.761 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -82.02 -35.68 28.59 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.084 -0.385 . . . . 74.48 111.547 171.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.1 mmt -65.29 90.81 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 123.64 0.776 . . . . 76.7 112.993 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.525 HG22 ' HB2' ' A' ' 128' ' ' ALA . 2.7 m -58.56 171.41 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 N-CA-C 108.869 -0.789 . . . . 110.89 108.869 169.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.33 126.5 31.09 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 120.763 -0.732 . . . . 88.41 113.103 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.89 -2.99 30.42 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 116.167 1.227 . . . . 87.67 116.167 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.525 ' HB2' HG22 ' A' ' 125' ' ' VAL . . . -69.49 -29.92 67.68 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.956 1.378 . . . . 67.55 112.662 178.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 119' ' ' GLU . 4.3 ttmt -66.21 -47.0 75.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 118.001 -1.479 . . . . 105.81 110.646 -179.349 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -59.98 -40.57 89.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.732 -0.387 . . . . 76.58 111.191 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.52 86.89 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.536 -0.866 . . . . 66.34 110.226 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' TRP . . . . . 0.4 ' O ' HG13 ' A' ' 136' ' ' VAL . 15.9 m95 -67.15 -36.53 82.05 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.231 -0.588 . . . . 63.94 111.537 -177.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.98 -42.48 76.49 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.015 -1.074 . . . . 118.8 110.23 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.45 -45.84 85.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.999 -0.371 . . . . 72.7 109.999 172.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 139' ' ' ILE . 12.6 t80 -61.89 -40.92 97.1 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.262 0.467 . . . . 71.83 112.262 -178.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 132' ' ' TRP . 9.0 m -78.29 -22.72 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 118.431 -1.308 . . . . 78.97 112.004 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.3 -48.68 84.09 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.269 -1.443 . . . . 74.0 111.967 166.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.52 -46.2 80.7 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 122.109 -0.642 . . . . 81.33 111.398 175.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.501 HG22 HD11 ' A' ' 143' ' ' LEU . 17.3 mt -57.87 -40.3 75.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 119.49 -0.884 . . . . 70.64 109.833 178.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' CYS . . . . . 0.528 ' HA ' HD12 ' A' ' 143' ' ' LEU . 43.1 m -78.34 -40.4 36.59 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.529 -0.868 . . . . 92.38 112.166 -170.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -63.77 -37.87 88.99 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 118.076 -1.45 . . . . 108.49 110.063 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 37.0 m -59.2 -45.26 91.54 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.679 -0.409 . . . . 83.03 111.382 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' A' ' 94' ' ' ALA . 1.4 mt -68.8 -51.97 35.19 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.581 -0.847 . . . . 97.35 110.978 177.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.541 ' O ' ' HG2' ' A' ' 148' ' ' LYS . . . -56.62 -33.07 62.1 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.331 -0.938 . . . . 100.38 112.656 -175.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.9 -64.59 0.83 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.114 0.483 . . . . 101.27 111.34 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.8 -25.81 21.06 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.472 0.545 . . . . 99.11 112.472 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' MET . . . . . 0.513 ' HE1' ' HA ' ' A' ' 103' ' ' ARG . 5.1 mtp -83.96 -38.24 21.24 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.198 -1.001 . . . . 97.61 112.469 -170.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 144' ' ' GLY . 17.6 pttt -73.02 -23.68 60.64 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.13 -1.028 . . . . 123.33 112.13 178.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.458 ' OE2' ' HG3' ' A' ' 148' ' ' LYS . 1.5 mp0 -86.29 52.53 2.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.998 0.428 . . . . 167.83 111.016 170.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 tt -157.46 119.75 3.83 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.759 -0.83 . . . . 133.28 108.759 -170.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.47 0.572 0 C-N-CA 124.289 1.036 . . . . 127.97 113.452 178.228 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 111.872 0.323 . . . . 103.6 111.872 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -53.92 -33.66 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.889 -0.724 . . . . 91.24 111.009 167.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.9 7.26 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.78 -0.724 . . . . 84.56 113.446 -160.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.86 141.84 38.87 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.54 0.67 . . . . 84.83 110.067 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -82.5 161.66 22.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.62 0.724 . . . . 90.97 110.258 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.58 -44.66 59.78 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.958 -1.019 . . . . 83.13 113.656 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -58.0 -49.35 13.03 Favored 'Trans proline' 0 N--CA 1.477 0.547 0 N-CA-C 113.576 0.568 . . . . 95.5 113.576 167.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -58.13 -39.75 79.54 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.124 -0.631 . . . . 100.41 111.233 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -65.14 -38.99 92.36 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.979 -0.688 . . . . 88.19 110.658 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.19 82.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.975 -0.29 . . . . 95.15 111.321 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.67 83.18 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.969 -0.692 . . . . 99.1 111.472 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.34 -38.24 83.16 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.787 -0.765 . . . . 85.36 110.766 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -70.82 -31.74 68.58 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.906 -0.718 . . . . 105.38 111.428 -175.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 91.1 p -89.83 -39.81 12.85 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.231 0.456 . . . . 100.92 112.231 -176.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.7 p -60.23 -39.52 86.98 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.99 -0.684 . . . . 79.08 111.065 170.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -69.74 -22.95 63.33 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.911 -0.716 . . . . 67.35 111.946 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -36.35 82.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 118.075 -1.45 . . . . 68.48 109.733 172.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -58.45 -46.8 85.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.657 0.265 . . . . 89.97 111.376 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.35 -37.12 84.44 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.996 -0.44 . . . . 61.99 111.66 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 66.9 mmm -78.09 -18.0 56.26 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 121.832 -0.543 . . . . 56.47 111.926 -174.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -59.53 -21.32 60.05 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.215 0.322 . . . . 69.54 111.32 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -140.02 68.37 1.36 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 106.897 -1.52 . . . . 65.2 106.897 170.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.29 -55.92 28.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.15 -0.932 . . . . 54.96 112.004 -169.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 28' ' ' THR . 41.2 t -68.1 -48.78 72.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.637 -0.425 . . . . 57.96 110.69 -174.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 7.0 m -52.79 -47.86 67.27 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 122.093 -0.38 . . . . 67.17 111.065 174.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -73.92 -27.6 61.11 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.495 -1.282 . . . . 65.29 111.849 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.31 -46.86 55.18 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.502 -1.333 . . . . 67.8 112.425 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.479 HG23 ' O ' ' B' ' 24' ' ' VAL . 4.2 p -65.44 -39.67 92.36 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 117.043 -1.863 . . . . 81.67 110.743 178.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.417 ' HB3' ' HE2' ' B' ' 118' ' ' TYR . 62.2 m-20 -58.1 -47.05 84.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.214 0.531 . . . . 84.72 110.294 177.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -51.01 -51.17 55.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.283 -0.417 . . . . 66.44 111.016 172.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.685 ' OH ' ' O ' ' B' ' 601' ' ' HOH . 16.8 m-85 -58.02 -42.45 85.32 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.505 -0.478 . . . . 73.36 111.649 -178.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' B' ' 28' ' ' THR . 31.0 mmt -60.09 -49.78 76.3 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.288 -0.257 . . . . 90.69 111.11 177.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -52.93 -39.8 63.12 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.415 -0.514 . . . . 83.37 110.897 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.5 tp -68.58 -48.72 63.47 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.691 0.256 . . . . 69.07 111.691 -175.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -64.8 -40.48 95.3 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.039 -0.664 . . . . 70.6 111.122 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -59.2 -42.19 90.32 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.921 -0.487 . . . . 86.79 111.484 174.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.62 -36.27 24.01 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.648 -0.821 . . . . 80.82 112.449 -173.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -130.03 80.62 70.69 Favored Pre-proline 0 C--O 1.241 0.633 0 N-CA-C 108.168 -1.049 . . . . 105.35 108.168 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -54.4 -26.97 46.74 Favored 'Trans proline' 0 C--O 1.235 0.357 0 N-CA-C 114.474 0.913 . . . . 83.23 114.474 -173.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.68 -39.93 71.63 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.082 0.855 . . . . 137.67 112.258 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 29.4 p -54.31 -12.0 0.6 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.412 0.523 . . . . 80.74 112.412 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -23.75 52.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 112.941 0.719 . . . . 94.46 112.941 175.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.7 m -58.97 -43.99 98.31 Favored Pre-proline 0 C--O 1.244 0.776 0 CA-C-O 117.739 -1.124 . . . . 85.65 113.82 -176.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.429 ' HG2' ' HAC' ' B' ' 500' ' ' HEM . 52.2 Cg_exo -61.53 -32.54 88.1 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 CA-C-N 121.688 1.639 . . . . 80.93 114.712 178.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.89 6.89 14.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 114.19 1.181 . . . . 70.75 114.19 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -66.14 -28.04 68.49 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 117.778 -1.569 . . . . 82.46 111.546 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -68.13 -44.01 77.05 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.29 -0.964 . . . . 90.22 110.717 173.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.42 -47.17 83.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.766 -0.374 . . . . 79.37 111.291 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.18 25.22 2.58 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 113.57 0.952 . . . . 83.31 113.57 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' B' ' 609' ' ' HOH . 1.2 pt-20 -35.34 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.366 1.067 . . . . 162.72 112.772 -174.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -103.61 55.95 0.74 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 139.3 110.849 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.57 107.81 14.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 107.543 -1.28 . . . . 100.02 107.543 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' SER . . . . . 0.401 ' OG ' ' HG2' ' B' ' 56' ' ' GLN . 7.2 p -73.32 168.15 19.78 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.043 0.925 . . . . 114.11 110.369 175.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -76.03 -26.35 56.53 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.586 -0.846 . . . . 126.95 111.924 -171.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.16 -30.29 71.2 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.177 -0.609 . . . . 128.61 110.923 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.401 ' HG2' ' OG ' ' B' ' 53' ' ' SER . 0.6 OUTLIER -103.41 0.35 31.12 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.233 0.827 . . . . 125.08 113.233 -175.194 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptp -84.18 -30.92 25.41 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 117.978 -1.489 . . . . 95.05 113.425 -168.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.6 m -55.68 148.8 15.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 117.484 -1.686 . . . . 92.41 107.96 156.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 66.23 -1.75 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.933 0.893 . . . . 99.38 113.362 176.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -84.2 140.95 39.63 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 119.322 0.964 . . . . 70.85 110.589 -177.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -55.89 -42.05 71.0 Favored 'Trans proline' 0 C--O 1.233 0.256 0 CA-C-O 118.096 -0.877 . . . . 59.47 114.257 -173.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -52.21 -49.06 64.68 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.92 1.236 . . . . 68.52 110.73 171.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 43.6 tpp -69.71 -35.44 75.06 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 70.39 111.904 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -63.59 -47.72 80.29 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.951 -0.7 . . . . 65.29 109.676 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.45 -39.26 83.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.45 -0.341 . . . . 58.9 111.56 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.542 ' OE1' ' NZ ' ' A' ' 92' ' ' LYS . 54.0 tp60 -69.0 -38.89 79.53 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 118.469 -1.292 . . . . 58.45 110.963 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.0 -35.89 76.02 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.112 -1.035 . . . . 61.31 110.219 174.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 tp -66.24 -52.69 45.24 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.753 -0.203 . . . . 56.87 110.615 -176.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 m -61.51 -35.2 65.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 C-N-CA 119.618 -0.833 . . . . 70.7 110.238 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.17 -44.21 96.07 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 122.194 -0.316 . . . . 61.4 111.39 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 91.6 m -61.67 -45.35 94.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.037 -0.665 . . . . 61.59 110.613 175.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.77 -40.63 93.22 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.741 -0.384 . . . . 60.93 110.6 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.08 55.17 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.674 -1.251 . . . . 59.12 112.024 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' MET . . . . . 0.515 ' HE1' ' HE1' ' B' ' 112' ' ' TYR . 11.8 tpp -66.14 -31.91 73.04 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.362 -0.935 . . . . 85.91 111.518 -177.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -68.41 -41.0 81.07 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.065 -1.054 . . . . 66.01 110.749 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.9 p -56.92 -27.77 61.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.056 0.391 . . . . 68.95 112.056 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -79.83 -50.3 10.72 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.498 -0.881 . . . . 62.16 111.573 172.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.34 -44.05 97.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.117 0.484 . . . . 68.91 110.428 -175.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -75.63 -1.71 25.92 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.459 0.911 . . . . 82.13 113.459 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -126.41 32.62 5.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.974 0.416 . . . . 71.84 110.748 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.15 -12.66 60.97 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 111.971 0.36 . . . . 81.87 111.971 176.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -100.28 -4.66 28.87 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.446 0.536 . . . . 109.89 112.446 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -119.55 89.54 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.874 -1.158 . . . . 98.09 107.874 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -63.4 -42.85 98.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 98.5 112.487 -169.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.837 -0.539 . . . . 119.55 111.316 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 33.4 t -68.42 -48.89 70.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.054 0.454 . . . . 74.2 109.979 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 62.7 tp -45.73 -46.22 14.92 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.269 0.557 . . . . 65.26 110.526 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.01 -42.17 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.088 -0.506 . . . . 79.52 111.265 -172.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -73.82 -28.99 25.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 118.97 -1.092 . . . . 79.92 110.899 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.23 -49.02 78.83 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.524 -0.87 . . . . 72.97 110.639 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.55 HD22 HG23 ' B' ' 140' ' ' ILE . 61.8 mt -61.9 -39.21 91.18 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 120.915 -0.314 . . . . 69.21 110.963 178.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -71.85 -34.99 69.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 118.712 -1.195 . . . . 81.82 111.005 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.705 ' NZ ' ' O1D' ' A' ' 500' ' ' HEM . 5.1 mtpp -56.78 -40.13 75.33 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.827 -1.149 . . . . 70.09 110.871 174.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' MET . . . . . . . . . . . . . 8.5 ttt -73.26 -43.56 60.88 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.462 -0.495 . . . . 76.87 111.066 -178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.805 ' HB2' ' HG2' ' B' ' 144' ' ' GLN . . . -57.37 -40.59 78.45 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.846 -0.742 . . . . 77.37 111.185 -180.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -65.55 -43.01 91.24 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.065 -0.654 . . . . 89.2 110.366 -177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.79 -50.72 72.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.9 0.381 . . . . 73.77 111.097 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -69.56 -42.05 75.06 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.364 -0.534 . . . . 80.98 111.636 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 151' ' ' ARG . 57.9 t80 -53.08 -41.41 64.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 119.25 -0.98 . . . . 89.31 111.175 175.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -71.76 -1.03 12.52 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.439 -0.904 . . . . 110.83 112.851 -178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.554 ' HB2' HD12 ' B' ' 103' ' ' ILE . 25.2 mtt85 -106.86 11.4 30.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.054 0.843 . . . . 96.9 112.279 171.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.9 -1.75 85.3 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-O 118.849 -0.973 . . . . 83.1 115.361 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.678 ' O ' ' NH1' ' B' ' 104' ' ' ARG . 4.9 mp -72.02 143.89 13.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 118.549 1.174 . . . . 82.88 109.147 175.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.678 ' NH1' ' O ' ' B' ' 103' ' ' ILE . 40.6 mmt-85 -125.25 171.47 10.34 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.35 -0.981 . . . . 99.13 108.35 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -57.77 -35.97 53.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.188 -0.914 . . . . 100.24 110.525 -176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.09 -46.83 61.93 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.916 0.389 . . . . 113.63 110.917 178.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -78.33 -35.29 47.86 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.263 -0.975 . . . . 102.69 111.072 -174.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -63.71 -43.97 94.99 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.276 -0.969 . . . . 69.04 110.823 176.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -59.11 -45.0 92.02 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.472 -0.491 . . . . 102.28 111.289 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -58.01 -42.21 84.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.347 -0.541 . . . . 95.19 111.349 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.11 -49.02 83.08 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 120.367 -0.92 . . . . 68.07 112.447 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.515 ' HE1' ' HE1' ' B' ' 74' ' ' MET . 32.8 m-85 -56.44 -37.92 70.91 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.325 -0.55 . . . . 72.91 110.972 179.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.79 -38.47 95.63 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 120.081 -1.056 . . . . 69.91 112.3 178.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.63 -44.3 98.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 122.21 -0.582 . . . . 68.15 110.166 172.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.16 -44.55 94.9 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 122.125 -0.359 . . . . 68.38 111.584 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.73 -43.62 98.33 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.299 -0.56 . . . . 84.23 111.26 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -64.24 -35.28 80.3 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.175 -1.01 . . . . 110.47 111.373 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' B' ' 29' ' ' ASN . 35.1 t80 -65.14 -46.36 81.23 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.559 -0.456 . . . . 76.28 111.039 176.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.67 -13.77 35.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.213 0.449 . . . . 93.1 112.213 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -89.93 -34.18 16.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.61 0.641 . . . . 101.25 112.473 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.48 -41.77 23.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.26 0.466 . . . . 98.59 112.26 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -107.9 -74.73 0.65 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.402 . . . . 102.58 110.581 -169.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.01 151.23 7.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.658 -1.238 . . . . 110.2 107.658 155.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -112.64 52.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 115.13 -2.628 . . . . 135.35 112.632 -170.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 2.7 m -65.77 132.66 31.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.615 -0.883 . . . . 100.25 108.615 172.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -165.67 157.13 14.18 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.149 -0.686 . . . . 147.03 109.149 -173.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.62 -114.8 2.88 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.025 -0.989 . . . . 117.18 113.406 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.8 p -64.53 -36.75 85.21 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 116.44 111.551 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 12.7 p -74.82 -9.13 58.26 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.382 -0.927 . . . . 133.29 112.926 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -96.88 -41.53 8.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 119.137 0.88 . . . . 122.94 113.239 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.05 -25.61 58.95 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.778 -0.769 . . . . 108.67 111.178 170.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.09 71.07 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.683 -0.407 . . . . 80.13 111.015 175.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -66.57 -40.3 88.92 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.622 -0.431 . . . . 74.27 111.303 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -56.16 -57.64 11.33 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.003 0.43 . . . . 112.71 111.191 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.15 -45.74 86.88 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.239 -0.288 . . . . 95.84 110.973 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' B' ' 140' ' ' ILE . 9.4 t80 -53.35 -50.14 65.65 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.229 0.455 . . . . 76.83 112.229 175.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 41.3 mt -67.6 -42.91 87.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.077 -0.649 . . . . 70.88 110.829 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' B' ' 142' ' ' ARG . . . -51.01 -45.51 61.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.412 -0.515 . . . . 80.99 111.006 174.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' TYR . . . . . 0.451 ' O ' HG23 ' B' ' 143' ' ' VAL . 91.2 t80 -62.88 -55.76 23.33 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.804 -0.358 . . . . 90.73 111.137 -179.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ILE . . . . . 0.55 HG23 HD22 ' B' ' 91' ' ' LEU . 65.3 mt -43.2 -44.91 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 123.538 0.735 . . . . 72.58 112.467 174.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.87 -34.81 66.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 119.199 -1.0 . . . . 80.89 111.695 -177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' B' ' 138' ' ' ALA . 48.2 mtm-85 -63.46 -46.61 85.44 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.496 -0.882 . . . . 112.93 110.551 175.798 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 139' ' ' TYR . 6.7 t -58.01 -57.59 9.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 121.075 0.464 . . . . 90.67 110.738 175.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.805 ' HG2' ' HB2' ' B' ' 95' ' ' ALA . 13.2 mt-30 -61.88 -42.87 99.58 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.828 -0.349 . . . . 85.15 111.307 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' B' ' 149' ' ' LYS . . . -61.67 -50.69 63.57 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.431 -0.89 . . . . 90.46 113.135 -178.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -66.02 -40.86 91.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 119.524 -0.87 . . . . 99.58 110.925 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -59.99 -29.8 68.7 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.779 -0.768 . . . . 99.22 110.537 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' MET . . . . . 0.578 ' O ' ' HB2' ' B' ' 151' ' ' ARG . 50.9 mtm -90.1 -10.74 43.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 113.736 1.013 . . . . 111.38 113.736 -179.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 145' ' ' GLY . 15.4 mtmt -92.17 -28.54 17.0 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.721 -1.192 . . . . 115.38 111.936 171.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.13 -18.2 64.2 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.173 -0.611 . . . . 144.8 110.47 164.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' B' ' 148' ' ' MET . 0.6 OUTLIER -58.51 -61.84 2.29 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.921 0.488 . . . . 142.76 111.508 172.387 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.533 0.296 0 C-N-CA 124.548 1.139 . . . . 125.12 113.498 -166.581 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' HEM . . . . . 0.705 ' O1D' ' NZ ' ' B' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 500' ' ' HEM . . . . . 0.586 ' HHC' HBB2 ' B' ' 500' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . 0.688 ' O ' ' NZ ' ' A' ' 95' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' HOH . . . . . 0.685 ' O ' ' OH ' ' B' ' 31' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' HOH . . . . . 0.551 ' O ' ' HG3' ' B' ' 50' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_