data_1ccr_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ccr _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.747 . . . . . . . . 14.31 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -73.32 -24.75 60.42 Favored 'General case' 0 C--O 1.254 1.316 0 O-C-N 120.66 -1.275 . . . . 14.65 109.249 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -139.92 164.95 28.63 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 125.949 2.031 . . . . 14.1 110.907 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.19 -38.58 58.25 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 123.158 1.456 . . . . 13.01 110.423 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -36.05 57.96 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 111.932 -2.394 . . . . 17.91 114.764 -179.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.05 -3.99 28.26 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 127.039 2.712 . . . . 23.48 113.843 -176.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.7 156.66 91.66 Favored Pre-proline 0 C--O 1.241 0.633 0 N-CA-C 113.923 1.083 . . . . 12.56 113.923 -176.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -62.81 155.49 59.41 Favored 'Trans proline' 0 C--O 1.256 1.418 0 C-N-CA 122.179 1.92 . . . . 10.1 111.382 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.92 150.82 84.68 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 N-CA-C 107.718 -1.685 . . . . 10.27 107.718 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.9 144.49 16.66 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.82 -0.627 . . . . 12.03 113.785 -175.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -122.31 110.06 32.73 Favored Pre-proline 0 CA--C 1.554 1.109 0 N-CA-C 105.602 -1.999 . . . . 13.4 105.602 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -61.22 -27.13 83.19 Favored 'Trans proline' 0 C--O 1.269 2.041 0 CA-C-O 113.56 -2.767 . . . . 11.42 115.23 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -66.65 -48.88 68.0 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 122.485 2.402 . . . . 20.82 108.553 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.073 -1.421 . . . . 10.99 109.764 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.79 92.41 Favored Glycine 0 N--CA 1.485 1.929 0 C-N-CA 124.328 0.966 . . . . 10.83 113.356 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -60.07 -44.64 94.61 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 125.173 1.389 . . . . 19.46 111.983 174.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -57.25 -46.81 82.69 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-O 125.748 2.69 . . . . 20.58 110.0 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.9 -50.21 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 CA-C-N 112.716 -2.038 . . . . 11.41 111.889 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.54 -51.0 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 126.221 2.201 . . . . 11.06 111.267 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -53.65 -48.25 69.57 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 124.723 1.264 . . . . 19.42 112.619 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.271 5.2 p -81.52 -30.25 33.26 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 115.856 1.798 . . . . 14.87 115.856 -176.073 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -113.37 -13.39 12.89 Favored 'General case' 0 C--O 1.252 1.222 0 N-CA-C 118.944 2.942 . . . . 19.12 118.944 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.0 m -126.75 -29.74 2.84 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 117.349 2.352 . . . . 8.65 117.349 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.97 58.06 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 127.273 2.858 . . . . 8.32 114.458 -174.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -50.93 -37.46 44.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 122.098 0.951 . . . . 9.59 112.736 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -116.25 -8.11 11.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 117.391 2.367 . . . . 7.02 117.391 -173.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.98 141.55 47.32 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.92 3.262 . . . . 7.37 114.308 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -98.26 169.48 9.55 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 126.761 2.538 . . . . 8.5 105.713 169.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 m -138.75 -18.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 117.745 -1.121 . . . . 10.36 111.307 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -86.56 141.38 29.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 128.694 3.746 . . . . 17.33 111.505 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' NZ ' ' O ' ' A' ' 147' ' ' HOH . 0.4 OUTLIER -61.95 133.38 55.31 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 112.513 -2.131 . . . . 21.47 105.681 172.959 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.5 -5.47 84.97 Favored Glycine 0 CA--C 1.499 -0.913 0 O-C-N 124.42 1.075 . . . . 13.55 115.191 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.44 59.96 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 117.642 2.46 . . . . 10.66 117.642 -177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.44 -170.27 54.9 Favored Glycine 0 CA--C 1.556 2.614 0 O-C-N 124.709 1.256 . . . . 9.86 110.05 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -105.23 170.3 7.95 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 113.857 -1.172 . . . . 8.73 111.312 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -131.68 -143.07 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 102.175 -3.269 . . . . 12.26 102.175 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.99 -41.18 87.02 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 123.388 1.566 . . . . 16.3 106.88 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.58 164.1 13.02 Favored Glycine 0 C--O 1.257 1.566 0 C-N-CA 129.223 3.297 . . . . 6.87 110.591 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 155.78 61.65 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-O 124.645 1.852 . . . . 6.92 112.513 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -64.02 133.04 52.37 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 104.255 -2.498 . . . . 9.74 104.255 172.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.66 3.85 51.36 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 115.091 1.515 . . . . 7.41 115.091 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -55.38 136.79 49.1 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-O 123.594 1.664 . . . . 10.52 109.403 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.6 22.79 68.26 Favored Glycine 0 C--O 1.28 3.01 0 CA-C-N 112.993 -1.912 . . . . 7.15 115.901 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.75 -46.1 63.93 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 115.415 1.635 . . . . 8.98 115.415 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.32 18.9 m-85 -63.16 115.11 4.19 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-O 122.543 1.163 . . . . 10.81 113.37 -170.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.79 69.86 Favored Glycine 0 C--O 1.255 1.437 0 CA-C-N 113.854 -1.521 . . . . 7.74 114.177 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.624 ' NH1' ' O ' ' A' ' 122' ' ' HOH . 14.5 mtp-105 -86.89 153.96 21.22 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 118.716 1.258 . . . . 18.0 112.966 -179.07 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -74.24 140.12 44.8 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 110.395 -3.093 . . . . 8.39 108.406 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -60.56 150.27 32.15 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.563 -1.199 . . . . 6.77 110.292 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.69 32.83 82.52 Favored Glycine 0 N--CA 1.435 -1.389 0 C-N-CA 125.081 1.324 . . . . 7.45 115.764 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 p -122.54 0.8 9.44 Favored 'General case' 0 C--O 1.29 3.236 0 N-CA-C 117.802 2.519 . . . . 8.98 117.802 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.1 m -68.89 134.01 90.07 Favored Pre-proline 0 C--N 1.309 -1.156 0 O-C-N 125.064 1.477 . . . . 11.79 108.64 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -65.6 140.52 62.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 O-C-N 125.866 2.508 . . . . 10.3 112.045 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.72 1.46 90.56 Favored Glycine 0 CA--C 1.482 -2.02 0 N-CA-C 122.07 3.588 . . . . 11.41 122.07 175.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -109.32 136.54 48.6 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 118.11 -0.948 . . . . 11.15 110.209 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -91.76 102.68 15.29 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.392 1.058 . . . . 15.09 109.839 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -84.41 160.03 20.69 Favored 'General case' 0 C--N 1.31 -1.11 0 O-C-N 125.861 1.975 . . . . 10.15 112.529 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -71.94 159.8 33.62 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 102.828 -3.027 . . . . 10.43 102.828 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 p -65.02 -38.72 91.84 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 116.696 -1.621 . . . . 14.74 108.935 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.69 67.02 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 124.5 2.095 . . . . 11.72 112.231 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.21 -28.33 69.07 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-O 117.234 -1.365 . . . . 14.53 109.128 -178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -81.75 -51.03 8.58 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.35 1.031 . . . . 18.34 108.957 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--O 1.26 1.624 0 CA-C-O 117.211 -1.376 . . . . 16.82 113.314 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.5 mmm -58.19 -37.14 74.19 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.892 0.745 . . . . 16.05 111.735 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 46.59 48.99 14.04 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 126.174 1.79 . . . . 10.49 112.106 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.67 131.34 35.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 C-N-CA 124.33 1.052 . . . . 9.67 109.933 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.7 mm -83.47 116.32 27.3 Favored 'Isoleucine or valine' 0 C--O 1.276 2.461 0 N-CA-C 104.14 -2.541 . . . . 8.54 104.14 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -74.55 130.19 39.13 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.554 0.693 . . . . 9.95 110.252 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -160.2 -179.74 7.99 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 116.523 -1.703 . . . . 19.56 108.633 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -55.08 -41.8 72.01 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 124.692 1.245 . . . . 17.47 113.764 -178.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -58.2 -55.99 27.9 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 116.369 1.988 . . . . 17.69 116.369 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.3 p -69.53 -37.25 77.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 110.733 -2.939 . . . . 7.52 112.074 -177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.19 -41.26 94.73 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 126.459 2.35 . . . . 7.85 110.421 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -59.92 -43.26 95.01 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 125.252 1.595 . . . . 9.77 111.31 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.89 -48.16 66.8 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.598 -0.689 . . . . 9.94 109.476 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -54.16 -51.97 62.62 Favored 'General case' 0 CA--C 1.489 -1.368 0 O-C-N 125.312 1.632 . . . . 8.89 113.633 -178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.68 -23.57 66.18 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 116.287 1.958 . . . . 9.1 116.287 -175.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.83 -38.51 85.73 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 125.336 1.647 . . . . 9.65 111.679 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -166.77 86.27 0.85 Allowed Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 115.202 -0.908 . . . . 10.96 109.252 179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -50.53 -45.68 33.48 Favored 'Trans proline' 0 C--O 1.253 1.274 0 C-N-CA 122.34 2.027 . . . . 10.09 115.02 -178.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.775 0 CA-C-N 119.476 1.034 . . . . 21.85 111.691 -178.636 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -75.78 -33.66 60.19 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.874 0.845 . . . . 21.9 109.447 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -73.27 -42.43 62.48 Favored 'General case' 0 C--O 1.267 1.993 0 O-C-N 119.999 -1.688 . . . . 11.18 114.581 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.5 mt -130.03 83.34 63.8 Favored Pre-proline 0 C--N 1.301 -1.505 0 C-N-CA 127.021 2.128 . . . . 10.58 105.849 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.17 134.4 61.59 Favored 'Trans proline' 0 C--O 1.242 0.713 0 CA-C-O 114.943 -2.19 . . . . 11.74 106.916 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.5 -1.51 69.33 Favored Glycine 0 C--N 1.311 -0.836 0 O-C-N 125.837 1.961 . . . . 10.71 113.589 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -66.84 154.02 41.96 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 117.423 -1.275 . . . . 9.77 110.21 176.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -99.89 6.36 45.28 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 123.103 1.43 . . . . 12.93 113.794 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.9 ttt -71.77 120.73 17.78 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-O 117.042 -1.456 . . . . 9.54 107.29 178.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.2 t -98.48 103.41 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 127.489 2.993 . . . . 12.22 106.042 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -163.26 120.23 1.21 Allowed Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 112.966 -1.925 . . . . 10.91 107.06 -178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -60.82 -38.49 69.91 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 122.303 2.002 . . . . 11.99 115.057 -176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.93 166.49 12.17 Favored Glycine 0 C--N 1.295 -1.74 0 N-CA-C 110.011 -1.236 . . . . 11.69 110.011 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.1 mt -114.98 105.69 13.26 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 105.546 -2.02 . . . . 13.02 105.546 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.721 0 N-CA-C 115.734 1.753 . . . . 19.56 115.734 -172.76 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -75.66 134.41 72.54 Favored Pre-proline 0 C--N 1.311 -1.082 0 N-CA-C 116.003 1.853 . . . . 12.69 116.003 -175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.35 -45.19 38.74 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 121.562 1.508 . . . . 8.86 110.663 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -63.2 -41.32 99.15 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 118.003 -0.998 . . . . 7.66 112.133 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -63.05 -41.75 99.56 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 118.431 0.559 . . . . 16.37 110.193 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -66.26 -45.44 80.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.38 -0.827 . . . . 11.72 111.112 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.49 91.51 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 124.995 1.318 . . . . 6.99 111.924 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.7 -50.54 68.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 117.027 -1.464 . . . . 7.26 109.631 177.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.45 -49.63 74.03 Favored 'General case' 0 C--O 1.266 1.947 0 CA-C-N 119.155 0.889 . . . . 9.52 108.628 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.72 -43.29 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 118.619 -0.705 . . . . 8.04 111.501 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -55.76 -42.2 75.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 114.703 -2.57 . . . . 13.62 110.908 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -67.41 -46.84 72.02 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 127.721 3.138 . . . . 11.42 110.929 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.6 mt -57.15 -41.25 78.79 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 121.989 0.899 . . . . 11.55 110.22 -177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -53.99 -45.68 71.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.275 -0.875 . . . . 20.25 109.289 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 116.727 -1.606 . . . . 23.05 109.157 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -38.18 72.77 Favored 'General case' 0 C--O 1.272 2.271 0 N-CA-C 117.688 2.477 . . . . 13.42 117.688 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 p -89.45 -2.25 58.32 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.562 1.319 . . . . 14.18 114.562 -174.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.416 -2.156 0 CA-C-O 112.169 -3.777 . . . . 20.32 112.565 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . 0.624 ' O ' ' NH1' ' A' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . 0.565 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.747 . . . . . . . . 14.31 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -73.32 -24.75 60.42 Favored 'General case' 0 C--O 1.254 1.316 0 O-C-N 120.66 -1.275 . . . . 14.65 109.249 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -139.92 164.95 28.63 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 125.949 2.031 . . . . 14.1 110.907 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.19 -38.58 58.25 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 123.158 1.456 . . . . 13.01 110.423 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -36.05 57.96 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 111.932 -2.394 . . . . 17.91 114.764 -179.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.05 -3.99 28.26 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 127.039 2.712 . . . . 23.48 113.843 -176.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.7 156.66 91.66 Favored Pre-proline 0 C--O 1.241 0.633 0 N-CA-C 113.923 1.083 . . . . 12.56 113.923 -176.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -62.81 155.49 59.41 Favored 'Trans proline' 0 C--O 1.256 1.418 0 C-N-CA 122.179 1.92 . . . . 10.1 111.382 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.92 150.82 84.68 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 N-CA-C 107.718 -1.685 . . . . 10.27 107.718 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.9 144.49 16.66 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.82 -0.627 . . . . 12.03 113.785 -175.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -122.31 110.06 32.73 Favored Pre-proline 0 CA--C 1.554 1.109 0 N-CA-C 105.602 -1.999 . . . . 13.4 105.602 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -61.22 -27.13 83.19 Favored 'Trans proline' 0 C--O 1.269 2.041 0 CA-C-O 113.56 -2.767 . . . . 11.42 115.23 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -66.65 -48.88 68.0 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 122.485 2.402 . . . . 20.82 108.553 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.073 -1.421 . . . . 10.99 109.764 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.79 92.41 Favored Glycine 0 N--CA 1.485 1.929 0 C-N-CA 124.328 0.966 . . . . 10.83 113.356 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.734 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 75.8 tt0 -60.07 -44.64 94.61 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 125.173 1.389 . . . . 19.46 111.983 174.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HE3' ' O ' ' A' ' 155' ' ' HOH . 49.2 mtmt -57.25 -46.81 82.69 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-O 125.748 2.69 . . . . 20.58 110.0 177.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.9 -50.21 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 CA-C-N 112.716 -2.038 . . . . 11.41 111.889 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.54 -51.0 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 126.221 2.201 . . . . 11.06 111.267 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . 0.734 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 35.0 mtmt -53.65 -48.25 69.57 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 124.723 1.264 . . . . 19.42 112.619 -179.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 16' ' ' LYS 0.271 5.2 p -81.52 -30.25 33.26 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 115.856 1.798 . . . . 14.87 115.856 -176.073 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -113.37 -13.39 12.89 Favored 'General case' 0 C--O 1.252 1.222 0 N-CA-C 118.944 2.942 . . . . 19.12 118.944 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.0 m -126.75 -29.74 2.84 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 117.349 2.352 . . . . 8.65 117.349 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.97 58.06 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 127.273 2.858 . . . . 8.32 114.458 -174.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -50.93 -37.46 44.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 122.098 0.951 . . . . 9.59 112.736 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -116.25 -8.11 11.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 117.391 2.367 . . . . 7.02 117.391 -173.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.98 141.55 47.32 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.92 3.262 . . . . 7.37 114.308 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -98.26 169.48 9.55 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 126.761 2.538 . . . . 8.5 105.713 169.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 m -138.75 -18.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 117.745 -1.121 . . . . 10.36 111.307 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -86.56 141.38 29.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 128.694 3.746 . . . . 17.33 111.505 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' NZ ' ' O ' ' A' ' 147' ' ' HOH . 0.4 OUTLIER -61.95 133.38 55.31 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 112.513 -2.131 . . . . 21.47 105.681 172.959 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.5 -5.47 84.97 Favored Glycine 0 CA--C 1.499 -0.913 0 O-C-N 124.42 1.075 . . . . 13.55 115.191 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.44 59.96 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 117.642 2.46 . . . . 10.66 117.642 -177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.44 -170.27 54.9 Favored Glycine 0 CA--C 1.556 2.614 0 O-C-N 124.709 1.256 . . . . 9.86 110.05 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -105.23 170.3 7.95 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 113.857 -1.172 . . . . 8.73 111.312 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -131.68 -143.07 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 102.175 -3.269 . . . . 12.26 102.175 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.99 -41.18 87.02 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 123.388 1.566 . . . . 16.3 106.88 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.58 164.1 13.02 Favored Glycine 0 C--O 1.257 1.566 0 C-N-CA 129.223 3.297 . . . . 6.87 110.591 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 155.78 61.65 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-O 124.645 1.852 . . . . 6.92 112.513 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -64.02 133.04 52.37 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 104.255 -2.498 . . . . 9.74 104.255 172.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.66 3.85 51.36 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 115.091 1.515 . . . . 7.41 115.091 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.38 136.79 49.1 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-O 123.594 1.664 . . . . 10.52 109.403 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.6 22.79 68.26 Favored Glycine 0 C--O 1.28 3.01 0 CA-C-N 112.993 -1.912 . . . . 7.15 115.901 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.75 -46.1 63.93 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 115.415 1.635 . . . . 8.98 115.415 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.32 18.9 m-85 -63.16 115.11 4.19 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-O 122.543 1.163 . . . . 10.81 113.37 -170.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.79 69.86 Favored Glycine 0 C--O 1.255 1.437 0 CA-C-N 113.854 -1.521 . . . . 7.74 114.177 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.624 ' NH1' ' O ' ' A' ' 122' ' ' HOH . 14.5 mtp-105 -86.89 153.96 21.22 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 118.716 1.258 . . . . 18.0 112.966 -179.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -74.24 140.12 44.8 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 110.395 -3.093 . . . . 8.39 108.406 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -60.56 150.27 32.15 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.563 -1.199 . . . . 6.77 110.292 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.69 32.83 82.52 Favored Glycine 0 N--CA 1.435 -1.389 0 C-N-CA 125.081 1.324 . . . . 7.45 115.764 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 p -122.54 0.8 9.44 Favored 'General case' 0 C--O 1.29 3.236 0 N-CA-C 117.802 2.519 . . . . 8.98 117.802 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.1 m -68.89 134.01 90.07 Favored Pre-proline 0 C--N 1.309 -1.156 0 O-C-N 125.064 1.477 . . . . 11.79 108.64 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -65.6 140.52 62.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 O-C-N 125.866 2.508 . . . . 10.3 112.045 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.72 1.46 90.56 Favored Glycine 0 CA--C 1.482 -2.02 0 N-CA-C 122.07 3.588 . . . . 11.41 122.07 175.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -109.32 136.54 48.6 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 118.11 -0.948 . . . . 11.15 110.209 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -91.76 102.68 15.29 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.392 1.058 . . . . 15.09 109.839 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -84.41 160.03 20.69 Favored 'General case' 0 C--N 1.31 -1.11 0 O-C-N 125.861 1.975 . . . . 10.15 112.529 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -71.94 159.8 33.62 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 102.828 -3.027 . . . . 10.43 102.828 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 p -65.02 -38.72 91.84 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 116.696 -1.621 . . . . 14.74 108.935 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.69 67.02 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 124.5 2.095 . . . . 11.72 112.231 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.21 -28.33 69.07 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-O 117.234 -1.365 . . . . 14.53 109.128 -178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -81.75 -51.03 8.58 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.35 1.031 . . . . 18.34 108.957 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--O 1.26 1.624 0 CA-C-O 117.211 -1.376 . . . . 16.82 113.314 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.5 mmm -58.19 -37.14 74.19 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.892 0.745 . . . . 16.05 111.735 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 46.59 48.99 14.04 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 126.174 1.79 . . . . 10.49 112.106 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.67 131.34 35.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 C-N-CA 124.33 1.052 . . . . 9.67 109.933 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.7 mm -83.47 116.32 27.3 Favored 'Isoleucine or valine' 0 C--O 1.276 2.461 0 N-CA-C 104.14 -2.541 . . . . 8.54 104.14 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -74.55 130.19 39.13 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.554 0.693 . . . . 9.95 110.252 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -160.2 -179.74 7.99 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 116.523 -1.703 . . . . 19.56 108.633 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 42.8 mp0 -55.08 -41.8 72.01 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 124.692 1.245 . . . . 17.47 113.764 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -55.99 27.9 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 116.369 1.988 . . . . 17.69 116.369 179.8 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.3 p -69.53 -37.25 77.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 110.733 -2.939 . . . . 7.52 112.074 -177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.19 -41.26 94.73 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 126.459 2.35 . . . . 7.85 110.421 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -59.92 -43.26 95.01 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 125.252 1.595 . . . . 9.77 111.31 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.89 -48.16 66.8 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.598 -0.689 . . . . 9.94 109.476 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -54.16 -51.97 62.62 Favored 'General case' 0 CA--C 1.489 -1.368 0 O-C-N 125.312 1.632 . . . . 8.89 113.633 -178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.68 -23.57 66.18 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 116.287 1.958 . . . . 9.1 116.287 -175.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.83 -38.51 85.73 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 125.336 1.647 . . . . 9.65 111.679 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' CG ' ' HG3' ' A' ' 81' ' ' LYS . 45.4 t-20 -166.77 86.27 0.85 Allowed Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 115.202 -0.908 . . . . 10.96 109.252 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -50.53 -45.68 33.48 Favored 'Trans proline' 0 C--O 1.253 1.274 0 C-N-CA 122.34 2.027 . . . . 10.09 115.02 -178.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' M3L . . . . . 0.54 HM13 HG22 ' A' ' 89' ' ' VAL . . . . . . . . 0 C--N 1.295 -1.775 0 CA-C-N 119.476 1.034 . . . . 21.85 111.691 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' HG3' ' CG ' ' A' ' 78' ' ' ASN . 16.7 mttt -75.78 -33.66 60.19 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.874 0.845 . . . . 21.9 109.447 176.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -73.27 -42.43 62.48 Favored 'General case' 0 C--O 1.267 1.993 0 O-C-N 119.999 -1.688 . . . . 11.18 114.581 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.5 mt -130.03 83.34 63.8 Favored Pre-proline 0 C--N 1.301 -1.505 0 C-N-CA 127.021 2.128 . . . . 10.58 105.849 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.17 134.4 61.59 Favored 'Trans proline' 0 C--O 1.242 0.713 0 CA-C-O 114.943 -2.19 . . . . 11.74 106.916 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.5 -1.51 69.33 Favored Glycine 0 C--N 1.311 -0.836 0 O-C-N 125.837 1.961 . . . . 10.71 113.589 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -66.84 154.02 41.96 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 117.423 -1.275 . . . . 9.77 110.21 176.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -99.89 6.36 45.28 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 123.103 1.43 . . . . 12.93 113.794 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.9 ttt -71.77 120.73 17.78 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-O 117.042 -1.456 . . . . 9.54 107.29 178.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . 0.54 HG22 HM13 ' A' ' 80' ' ' M3L . 72.2 t -98.48 103.41 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 127.489 2.993 . . . . 12.22 106.042 177.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 66.6 t80 -163.26 120.23 1.21 Allowed Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 112.966 -1.925 . . . . 10.91 107.06 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 90' ' ' PHE . 46.9 Cg_exo -60.82 -38.49 69.91 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 122.303 2.002 . . . . 11.99 115.057 -176.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.93 166.49 12.17 Favored Glycine 0 C--N 1.295 -1.74 0 N-CA-C 110.011 -1.236 . . . . 11.69 110.011 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . 0.733 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 49.1 mt -114.98 105.69 13.26 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 105.546 -2.02 . . . . 13.02 105.546 178.147 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.721 0 N-CA-C 115.734 1.753 . . . . 19.56 115.734 -172.76 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . 0.635 ' HB2' ' HG3' ' A' ' 98' ' ' GLU . 51.8 mmtt -75.66 134.41 72.54 Favored Pre-proline 0 C--N 1.311 -1.082 0 N-CA-C 116.003 1.853 . . . . 12.69 116.003 -175.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.35 -45.19 38.74 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 121.562 1.508 . . . . 8.86 110.663 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -63.2 -41.32 99.15 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 118.003 -0.998 . . . . 7.66 112.133 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLU . . . . . 0.635 ' HG3' ' HB2' ' A' ' 95' ' ' LYS . 33.7 mt-10 -63.05 -41.75 99.56 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 118.431 0.559 . . . . 16.37 110.193 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ARG . . . . . 0.733 ' HD2' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtp180 -66.26 -45.44 80.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.38 -0.827 . . . . 11.72 111.112 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.49 91.51 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 124.995 1.318 . . . . 6.99 111.924 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.7 -50.54 68.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 117.027 -1.464 . . . . 7.26 109.631 177.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . 0.468 HD12 HD11 ' A' ' 93' ' ' LEU . 3.8 tt -56.45 -49.63 74.03 Favored 'General case' 0 C--O 1.266 1.947 0 CA-C-N 119.155 0.889 . . . . 9.52 108.628 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.72 -43.29 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 118.619 -0.705 . . . . 8.04 111.501 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -55.76 -42.2 75.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 114.703 -2.57 . . . . 13.62 110.908 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -67.41 -46.84 72.02 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 127.721 3.138 . . . . 11.42 110.929 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.6 mt -57.15 -41.25 78.79 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 121.989 0.899 . . . . 11.55 110.22 -177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 69' ' ' GLU . 10.9 mtmt -53.99 -45.68 71.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.275 -0.875 . . . . 20.25 109.289 179.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 116.727 -1.606 . . . . 23.05 109.157 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -38.18 72.77 Favored 'General case' 0 C--O 1.272 2.271 0 N-CA-C 117.688 2.477 . . . . 13.42 117.688 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 p -89.45 -2.25 58.32 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.562 1.319 . . . . 14.18 114.562 -174.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.416 -2.156 0 CA-C-O 112.169 -3.777 . . . . 20.32 112.565 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.624 ' O ' ' NH1' ' A' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . 0.565 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . 0.528 ' O ' ' HE3' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.747 . . . . . . . . 14.31 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -73.32 -24.75 60.42 Favored 'General case' 0 C--O 1.254 1.316 0 O-C-N 120.66 -1.275 . . . . 14.65 109.249 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -139.92 164.95 28.63 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 125.949 2.031 . . . . 14.1 110.907 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.19 -38.58 58.25 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 123.158 1.456 . . . . 13.01 110.423 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -36.05 57.96 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 111.932 -2.394 . . . . 17.91 114.764 -179.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.05 -3.99 28.26 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 127.039 2.712 . . . . 23.48 113.843 -176.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.7 156.66 91.66 Favored Pre-proline 0 C--O 1.241 0.633 0 N-CA-C 113.923 1.083 . . . . 12.56 113.923 -176.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -62.81 155.49 59.41 Favored 'Trans proline' 0 C--O 1.256 1.418 0 C-N-CA 122.179 1.92 . . . . 10.1 111.382 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.92 150.82 84.68 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 N-CA-C 107.718 -1.685 . . . . 10.27 107.718 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.9 144.49 16.66 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.82 -0.627 . . . . 12.03 113.785 -175.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -122.31 110.06 32.73 Favored Pre-proline 0 CA--C 1.554 1.109 0 N-CA-C 105.602 -1.999 . . . . 13.4 105.602 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -61.22 -27.13 83.19 Favored 'Trans proline' 0 C--O 1.269 2.041 0 CA-C-O 113.56 -2.767 . . . . 11.42 115.23 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -66.65 -48.88 68.0 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 122.485 2.402 . . . . 20.82 108.553 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.12 82.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 114.073 -1.421 . . . . 10.99 109.764 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.79 92.41 Favored Glycine 0 N--CA 1.485 1.929 0 C-N-CA 124.328 0.966 . . . . 10.83 113.356 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.734 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 75.8 tt0 -60.07 -44.64 94.61 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 125.173 1.389 . . . . 19.46 111.983 174.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HE3' ' O ' ' A' ' 155' ' ' HOH . 49.2 mtmt -57.25 -46.81 82.69 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-O 125.748 2.69 . . . . 20.58 110.0 177.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.9 -50.21 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 CA-C-N 112.716 -2.038 . . . . 11.41 111.889 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.54 -51.0 68.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 126.221 2.201 . . . . 11.06 111.267 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.734 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 35.0 mtmt -53.65 -48.25 69.57 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 124.723 1.264 . . . . 19.42 112.619 -179.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 16' ' ' LYS 0.271 5.2 p -81.52 -30.25 33.26 Favored 'General case' 0 CA--C 1.486 -1.508 0 N-CA-C 115.856 1.798 . . . . 14.87 115.856 -176.073 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -113.37 -13.39 12.89 Favored 'General case' 0 C--O 1.252 1.222 0 N-CA-C 118.944 2.942 . . . . 19.12 118.944 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.0 m -126.75 -29.74 2.84 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 117.349 2.352 . . . . 8.65 117.349 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.97 58.06 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 127.273 2.858 . . . . 8.32 114.458 -174.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -50.93 -37.46 44.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 122.098 0.951 . . . . 9.59 112.736 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -116.25 -8.11 11.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 117.391 2.367 . . . . 7.02 117.391 -173.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.98 141.55 47.32 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.92 3.262 . . . . 7.37 114.308 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -98.26 169.48 9.55 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 126.761 2.538 . . . . 8.5 105.713 169.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 m -138.75 -18.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-O 117.745 -1.121 . . . . 10.36 111.307 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -86.56 141.38 29.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 128.694 3.746 . . . . 17.33 111.505 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' NZ ' ' O ' ' A' ' 147' ' ' HOH . 0.4 OUTLIER -61.95 133.38 55.31 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 112.513 -2.131 . . . . 21.47 105.681 172.959 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.5 -5.47 84.97 Favored Glycine 0 CA--C 1.499 -0.913 0 O-C-N 124.42 1.075 . . . . 13.55 115.191 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.44 59.96 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 117.642 2.46 . . . . 10.66 117.642 -177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.44 -170.27 54.9 Favored Glycine 0 CA--C 1.556 2.614 0 O-C-N 124.709 1.256 . . . . 9.86 110.05 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -105.23 170.3 7.95 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 113.857 -1.172 . . . . 8.73 111.312 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -131.68 -143.07 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 102.175 -3.269 . . . . 12.26 102.175 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.99 -41.18 87.02 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 123.388 1.566 . . . . 16.3 106.88 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.58 164.1 13.02 Favored Glycine 0 C--O 1.257 1.566 0 C-N-CA 129.223 3.297 . . . . 6.87 110.591 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 155.78 61.65 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 CA-C-O 124.645 1.852 . . . . 6.92 112.513 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -64.02 133.04 52.37 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 104.255 -2.498 . . . . 9.74 104.255 172.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.66 3.85 51.36 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 115.091 1.515 . . . . 7.41 115.091 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -55.38 136.79 49.1 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-O 123.594 1.664 . . . . 10.52 109.403 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.6 22.79 68.26 Favored Glycine 0 C--O 1.28 3.01 0 CA-C-N 112.993 -1.912 . . . . 7.15 115.901 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -51.75 -46.1 63.93 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 115.415 1.635 . . . . 8.98 115.415 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.32 18.9 m-85 -63.16 115.11 4.19 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-O 122.543 1.163 . . . . 10.81 113.37 -170.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.79 69.86 Favored Glycine 0 C--O 1.255 1.437 0 CA-C-N 113.854 -1.521 . . . . 7.74 114.177 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.624 ' NH1' ' O ' ' A' ' 122' ' ' HOH . 14.5 mtp-105 -86.89 153.96 21.22 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 118.716 1.258 . . . . 18.0 112.966 -179.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -74.24 140.12 44.8 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 110.395 -3.093 . . . . 8.39 108.406 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.2 p -60.56 150.27 32.15 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.563 -1.199 . . . . 6.77 110.292 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.69 32.83 82.52 Favored Glycine 0 N--CA 1.435 -1.389 0 C-N-CA 125.081 1.324 . . . . 7.45 115.764 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 p -122.54 0.8 9.44 Favored 'General case' 0 C--O 1.29 3.236 0 N-CA-C 117.802 2.519 . . . . 8.98 117.802 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.1 m -68.89 134.01 90.07 Favored Pre-proline 0 C--N 1.309 -1.156 0 O-C-N 125.064 1.477 . . . . 11.79 108.64 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -65.6 140.52 62.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 O-C-N 125.866 2.508 . . . . 10.3 112.045 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.72 1.46 90.56 Favored Glycine 0 CA--C 1.482 -2.02 0 N-CA-C 122.07 3.588 . . . . 11.41 122.07 175.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -109.32 136.54 48.6 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 118.11 -0.948 . . . . 11.15 110.209 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -91.76 102.68 15.29 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.392 1.058 . . . . 15.09 109.839 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -84.41 160.03 20.69 Favored 'General case' 0 C--N 1.31 -1.11 0 O-C-N 125.861 1.975 . . . . 10.15 112.529 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -71.94 159.8 33.62 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 102.828 -3.027 . . . . 10.43 102.828 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 p -65.02 -38.72 91.84 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 116.696 -1.621 . . . . 14.74 108.935 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.69 67.02 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 124.5 2.095 . . . . 11.72 112.231 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.21 -28.33 69.07 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-O 117.234 -1.365 . . . . 14.53 109.128 -178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -81.75 -51.03 8.58 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.35 1.031 . . . . 18.34 108.957 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--O 1.26 1.624 0 CA-C-O 117.211 -1.376 . . . . 16.82 113.314 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.5 mmm -58.19 -37.14 74.19 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.892 0.745 . . . . 16.05 111.735 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 46.59 48.99 14.04 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 126.174 1.79 . . . . 10.49 112.106 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.67 131.34 35.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 C-N-CA 124.33 1.052 . . . . 9.67 109.933 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.7 mm -83.47 116.32 27.3 Favored 'Isoleucine or valine' 0 C--O 1.276 2.461 0 N-CA-C 104.14 -2.541 . . . . 8.54 104.14 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -74.55 130.19 39.13 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.554 0.693 . . . . 9.95 110.252 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -160.2 -179.74 7.99 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 116.523 -1.703 . . . . 19.56 108.633 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 42.8 mp0 -55.08 -41.8 72.01 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 124.692 1.245 . . . . 17.47 113.764 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -58.2 -55.99 27.9 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 116.369 1.988 . . . . 17.69 116.369 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.3 p -69.53 -37.25 77.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 110.733 -2.939 . . . . 7.52 112.074 -177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.19 -41.26 94.73 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 126.459 2.35 . . . . 7.85 110.421 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -59.92 -43.26 95.01 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 125.252 1.595 . . . . 9.77 111.31 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.89 -48.16 66.8 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.598 -0.689 . . . . 9.94 109.476 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -54.16 -51.97 62.62 Favored 'General case' 0 CA--C 1.489 -1.368 0 O-C-N 125.312 1.632 . . . . 8.89 113.633 -178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.68 -23.57 66.18 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 116.287 1.958 . . . . 9.1 116.287 -175.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.83 -38.51 85.73 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 125.336 1.647 . . . . 9.65 111.679 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' CG ' ' HG3' ' A' ' 81' ' ' LYS . 45.4 t-20 -166.77 86.27 0.85 Allowed Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 115.202 -0.908 . . . . 10.96 109.252 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -50.53 -45.68 33.48 Favored 'Trans proline' 0 C--O 1.253 1.274 0 C-N-CA 122.34 2.027 . . . . 10.09 115.02 -178.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' M3L . . . . . 0.54 HM13 HG22 ' A' ' 89' ' ' VAL . . . . . . . . 0 C--N 1.295 -1.775 0 CA-C-N 119.476 1.034 . . . . 21.85 111.691 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' HG3' ' CG ' ' A' ' 78' ' ' ASN . 16.7 mttt -75.78 -33.66 60.19 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.874 0.845 . . . . 21.9 109.447 176.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -73.27 -42.43 62.48 Favored 'General case' 0 C--O 1.267 1.993 0 O-C-N 119.999 -1.688 . . . . 11.18 114.581 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.5 mt -130.03 83.34 63.8 Favored Pre-proline 0 C--N 1.301 -1.505 0 C-N-CA 127.021 2.128 . . . . 10.58 105.849 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -58.17 134.4 61.59 Favored 'Trans proline' 0 C--O 1.242 0.713 0 CA-C-O 114.943 -2.19 . . . . 11.74 106.916 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.5 -1.51 69.33 Favored Glycine 0 C--N 1.311 -0.836 0 O-C-N 125.837 1.961 . . . . 10.71 113.589 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -66.84 154.02 41.96 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 117.423 -1.275 . . . . 9.77 110.21 176.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -99.89 6.36 45.28 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 123.103 1.43 . . . . 12.93 113.794 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.9 ttt -71.77 120.73 17.78 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-O 117.042 -1.456 . . . . 9.54 107.29 178.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.54 HG22 HM13 ' A' ' 80' ' ' M3L . 72.2 t -98.48 103.41 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 127.489 2.993 . . . . 12.22 106.042 177.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 66.6 t80 -163.26 120.23 1.21 Allowed Pre-proline 0 N--CA 1.48 1.056 0 CA-C-N 112.966 -1.925 . . . . 10.91 107.06 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 90' ' ' PHE . 46.9 Cg_exo -60.82 -38.49 69.91 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 122.303 2.002 . . . . 11.99 115.057 -176.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.93 166.49 12.17 Favored Glycine 0 C--N 1.295 -1.74 0 N-CA-C 110.011 -1.236 . . . . 11.69 110.011 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.733 ' O ' ' HD2' ' A' ' 99' ' ' ARG . 49.1 mt -114.98 105.69 13.26 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 105.546 -2.02 . . . . 13.02 105.546 178.147 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.721 0 N-CA-C 115.734 1.753 . . . . 19.56 115.734 -172.76 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.635 ' HB2' ' HG3' ' A' ' 98' ' ' GLU . 51.8 mmtt -75.66 134.41 72.54 Favored Pre-proline 0 C--N 1.311 -1.082 0 N-CA-C 116.003 1.853 . . . . 12.69 116.003 -175.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.35 -45.19 38.74 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 121.562 1.508 . . . . 8.86 110.663 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -63.2 -41.32 99.15 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 118.003 -0.998 . . . . 7.66 112.133 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.635 ' HG3' ' HB2' ' A' ' 95' ' ' LYS . 33.7 mt-10 -63.05 -41.75 99.56 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 118.431 0.559 . . . . 16.37 110.193 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.733 ' HD2' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtp180 -66.26 -45.44 80.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.38 -0.827 . . . . 11.72 111.112 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.49 91.51 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 124.995 1.318 . . . . 6.99 111.924 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.7 -50.54 68.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 117.027 -1.464 . . . . 7.26 109.631 177.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.468 HD12 HD11 ' A' ' 93' ' ' LEU . 3.8 tt -56.45 -49.63 74.03 Favored 'General case' 0 C--O 1.266 1.947 0 CA-C-N 119.155 0.889 . . . . 9.52 108.628 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.72 -43.29 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 118.619 -0.705 . . . . 8.04 111.501 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 m -55.76 -42.2 75.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 114.703 -2.57 . . . . 13.62 110.908 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -67.41 -46.84 72.02 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 127.721 3.138 . . . . 11.42 110.929 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.6 mt -57.15 -41.25 78.79 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 121.989 0.899 . . . . 11.55 110.22 -177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 69' ' ' GLU . 10.9 mtmt -53.99 -45.68 71.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.275 -0.875 . . . . 20.25 109.289 179.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -57.66 3.81 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 116.727 -1.606 . . . . 23.05 109.157 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -38.18 72.77 Favored 'General case' 0 C--O 1.272 2.271 0 N-CA-C 117.688 2.477 . . . . 13.42 117.688 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 p -89.45 -2.25 58.32 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.562 1.319 . . . . 14.18 114.562 -174.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.416 -2.156 0 CA-C-O 112.169 -3.777 . . . . 20.32 112.565 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.624 ' O ' ' NH1' ' A' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . 0.565 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . 0.528 ' O ' ' HE3' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_