data_7c3q_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 7c3q _Structure_validation_residue.Date_analyzed 2020-06-05 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 ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 107.009 -1.478 . . . . 59.26 107.009 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.84 -31.8 71.89 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 116.586 -1.673 . . . . 33.6 111.102 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -66.87 -44.0 82.07 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 119.537 1.062 . . . . 55.68 108.159 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -58.07 -48.05 81.31 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.35 1.06 . . . . 63.79 109.495 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.18 -48.23 80.95 Favored 'General case' 0 C--O 1.269 2.104 0 CA-C-N 115.787 -0.642 . . . . 45.09 109.423 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -58.44 -48.04 82.0 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 119.217 -0.42 . . . . 36.19 109.882 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -82.88 -12.15 57.63 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 116.767 -1.587 . . . . 37.21 110.98 -168.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.68 127.28 30.67 Favored 'General case' 0 C--O 1.276 2.471 0 C-N-CA 124.036 0.934 . . . . 64.44 109.931 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.1 2.14 88.27 Favored Glycine 0 N--CA 1.474 1.17 0 CA-C-O 118.234 -1.315 . . . . 43.29 111.871 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.06 24.05 2.56 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 125.369 1.467 . . . . 48.02 111.803 -170.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -93.87 -18.64 21.76 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 117.337 -1.316 . . . . 41.06 112.063 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -104.53 -40.0 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-O 117.45 -1.262 . . . . 35.09 108.523 177.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 61.28 64.98 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.324 -1.362 . . . . 56.55 107.324 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.36 156.0 25.68 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.403 -1.703 . . . . 60.54 106.403 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.4 154.43 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 126.8 2.562 . . . . 34.55 107.926 177.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -111.68 112.56 53.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 104.384 -2.45 . . . . 77.21 104.384 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.37 143.76 83.69 Favored 'Trans proline' 0 C--O 1.206 -1.092 0 C-N-CA 121.511 1.474 . . . . 30.61 108.546 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -63.73 154.16 34.08 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.019 -0.734 . . . . 36.11 109.019 167.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.4 tp -54.74 -47.44 98.12 Favored Pre-proline 0 N--CA 1.479 0.998 0 O-C-N 124.433 1.083 . . . . 30.05 110.443 -162.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -60.79 -36.39 84.43 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.667 1.988 . . . . 32.04 112.464 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.96 -38.31 64.26 Favored 'General case' 0 C--O 1.268 2.068 0 O-C-N 124.908 1.38 . . . . 22.97 107.48 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.87 -43.99 73.65 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.768 -0.456 . . . . 26.53 109.768 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.29 -42.75 96.13 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.693 0.797 . . . . 28.11 109.857 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.66 -50.99 77.21 Favored 'Isoleucine or valine' 0 C--O 1.26 1.623 0 CA-C-O 118.776 -0.63 . . . . 24.68 110.868 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.64 -45.05 95.69 Favored 'General case' 0 C--O 1.263 1.81 0 N-CA-C 109.216 -0.661 . . . . 27.06 109.216 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -56.1 -42.14 76.34 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 118.12 -0.943 . . . . 30.01 111.526 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.08 -22.53 66.97 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 116.901 -1.523 . . . . 28.5 110.235 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 1.75 56.87 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.674 1.579 . . . . 29.32 109.799 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.51 8.52 37.63 Favored Glycine 0 N--CA 1.479 1.534 0 CA-C-O 117.358 -1.801 . . . . 33.49 114.613 175.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.74 153.07 44.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.784 1.792 . . . . 29.44 108.36 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -129.9 143.32 50.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.448 1.093 . . . . 56.37 109.49 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.21 -164.44 36.76 Favored Glycine 0 C--O 1.262 1.87 0 N-CA-C 109.877 -1.289 . . . . 31.32 109.877 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.26 18.44 2.24 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 117.308 -1.757 . . . . 35.91 111.338 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttp -124.58 130.4 52.37 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 106.946 -1.501 . . . . 46.94 106.946 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.16 152.89 39.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 125.56 1.787 . . . . 28.14 110.443 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.9 p -72.75 158.77 34.94 Favored 'General case' 0 C--O 1.266 1.969 0 N-CA-C 107.822 -1.177 . . . . 35.26 107.822 161.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.3 t -66.03 -34.11 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 107.63 -1.248 . . . . 34.35 107.63 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -59.29 -42.48 91.37 Favored 'General case' 0 C--O 1.269 2.11 0 CA-C-O 118.625 -0.702 . . . . 39.27 109.754 176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -65.32 -41.37 94.09 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.862 -0.792 . . . . 42.82 108.862 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.11 -44.97 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.619 -0.882 . . . . 25.39 108.619 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 75.8 mmm -65.58 -43.13 90.71 Favored 'General case' 0 C--O 1.269 2.125 0 N-CA-C 108.934 -0.765 . . . . 35.4 108.934 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -54.52 -52.4 62.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.956 -1.127 . . . . 48.85 107.956 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -68.84 -38.62 79.92 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 118.05 -0.976 . . . . 37.81 110.138 -172.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.15 -43.19 99.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.811 -1.09 . . . . 27.94 109.849 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.05 -47.27 90.2 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 109.966 -1.253 . . . . 29.29 109.966 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -60.14 -44.14 95.18 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 118.19 -0.91 . . . . 49.29 110.036 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 88.9 t80 -54.73 -47.86 73.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.249 1.02 . . . . 28.87 110.021 179.029 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.31 -39.41 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.731 -0.84 . . . . 25.01 108.731 -176.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 93.8 mmm -68.61 -46.67 68.69 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 117.432 -1.27 . . . . 53.48 107.692 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 m -76.31 -27.18 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 CA-C-N 120.452 1.478 . . . . 46.18 110.319 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 58' ' ' TYR . 29.9 mtpt -91.74 2.08 56.73 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.369 1.44 . . . . 43.02 109.826 179.342 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 52.18 50.49 18.31 Favored 'General case' 0 C--O 1.263 1.776 0 C-N-CA 124.767 1.227 . . . . 59.7 110.375 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.85 -6.87 57.88 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 122.901 0.48 . . . . 32.26 111.106 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -90.31 163.45 14.74 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.369 -0.974 . . . . 53.4 108.369 -177.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -95.44 125.54 40.13 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 106.169 -1.789 . . . . 50.41 106.169 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -64.74 -33.02 74.98 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 117.276 -1.345 . . . . 71.43 108.667 -170.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -70.41 -63.24 1.13 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.459 1.504 . . . . 82.05 110.25 174.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -103.91 80.34 1.74 Allowed 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.585 1.178 . . . . 71.38 107.835 -174.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -74.97 -10.09 59.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 117.33 -1.319 . . . . 61.96 111.05 -162.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -71.39 -16.42 62.41 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.866 1.666 . . . . 47.97 110.564 169.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.6 mmm -96.21 128.59 43.26 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.522 -0.918 . . . . 39.86 108.522 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.3 t -112.44 124.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.87 -1.159 . . . . 28.43 107.87 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -103.84 93.49 4.92 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.345 -0.983 . . . . 28.38 108.345 174.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 p -101.11 -6.74 23.94 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.382 1.473 . . . . 26.66 111.152 -172.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.9 139.8 46.91 Favored Glycine 0 C--O 1.266 2.133 0 N-CA-C 110.29 -1.124 . . . . 28.24 110.29 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.17 0.52 21.84 Favored Glycine 0 N--CA 1.487 2.079 0 CA-C-O 117.707 -1.607 . . . . 40.46 114.092 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -98.87 151.79 20.45 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 119.849 1.825 . . . . 32.17 107.19 166.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 tp -46.42 -39.85 11.21 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 123.695 0.622 . . . . 27.02 109.62 170.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.01 -42.84 99.22 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 118.096 -0.954 . . . . 28.76 109.434 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.14 98.96 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 124.456 1.097 . . . . 25.51 110.647 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -59.47 -47.16 86.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.517 -0.99 . . . . 33.14 111.384 174.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.84 -43.75 97.97 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 117.442 -1.265 . . . . 29.96 110.373 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.24 -18.53 61.22 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 116.964 -1.493 . . . . 31.07 111.104 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.88 37.98 93.38 Favored Glycine 0 N--CA 1.469 0.848 0 CA-C-O 118.35 -1.25 . . . . 30.75 111.847 -168.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -142.48 151.32 41.58 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 117.74 0.77 . . . . 50.16 111.993 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -79.6 -29.51 41.19 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.527 -0.761 . . . . 46.4 111.461 168.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.2 p -152.89 158.68 42.49 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 123.909 0.883 . . . . 28.15 109.023 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -157.94 160.58 37.72 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.312 -0.858 . . . . 34.91 108.823 162.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 t -106.01 132.79 51.68 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.615 1.822 . . . . 31.34 107.817 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.31 -18.54 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-O 116.726 -1.607 . . . . 39.31 108.692 175.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -73.3 -24.44 60.4 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 124.391 1.057 . . . . 72.42 110.06 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -130.48 71.56 82.25 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 107.745 -1.205 . . . . 57.84 107.745 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -87.13 21.14 1.1 Allowed 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.224 1.949 . . . . 37.09 115.644 -165.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 4.7 m -48.12 -47.37 65.88 Favored Pre-proline 0 N--CA 1.485 1.28 0 C-N-CA 124.31 1.044 . . . . 44.99 111.45 179.438 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 95' ' ' SER . 52.0 Cg_exo -62.02 -32.94 84.22 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 CA-C-N 119.458 0.842 . . . . 34.81 113.315 -177.312 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 tp -68.81 -44.52 73.34 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.146 -0.687 . . . . 34.97 109.146 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -54.06 -51.13 65.08 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.15 0.98 . . . . 35.09 108.619 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -57.05 -51.22 70.12 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 109.086 -0.709 . . . . 44.49 109.086 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.16 -42.55 98.76 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.842 -0.799 . . . . 26.14 108.842 -175.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.74 -36.25 65.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 118.096 -1.441 . . . . 35.8 109.456 -174.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -54.08 -37.79 64.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 117.809 -1.091 . . . . 67.91 109.113 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.21 -17.46 30.78 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 117.9 -1.048 . . . . 55.26 112.337 -175.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -119.3 1.67 11.3 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 116.172 -1.871 . . . . 27.11 111.668 -167.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 123.78 50.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 125.294 1.621 . . . . 34.12 107.91 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.5 t -101.73 128.92 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.693 -1.225 . . . . 44.18 107.693 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-N 119.09 0.859 . . . . 54.69 111.09 171.294 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' O4B . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' NUT . . . . . 0.416 ' C10' ' H7 ' ' A' ' 202' ' ' NUT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 107.009 -1.478 . . . . 59.26 107.009 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.84 -31.8 71.89 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 116.586 -1.673 . . . . 33.6 111.102 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -66.87 -44.0 82.07 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 119.537 1.062 . . . . 55.68 108.159 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -58.07 -48.05 81.31 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.35 1.06 . . . . 63.79 109.495 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.18 -48.23 80.95 Favored 'General case' 0 C--O 1.269 2.104 0 CA-C-N 115.787 -0.642 . . . . 45.09 109.423 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -58.44 -48.04 82.0 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 119.217 -0.42 . . . . 36.19 109.882 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -82.88 -12.15 57.63 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 116.767 -1.587 . . . . 37.21 110.98 -168.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.68 127.28 30.67 Favored 'General case' 0 C--O 1.276 2.471 0 C-N-CA 124.036 0.934 . . . . 64.44 109.931 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.1 2.14 88.27 Favored Glycine 0 N--CA 1.474 1.17 0 CA-C-O 118.234 -1.315 . . . . 43.29 111.871 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.06 24.05 2.56 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 125.369 1.467 . . . . 48.02 111.803 -170.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -93.87 -18.64 21.76 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 117.337 -1.316 . . . . 41.06 112.063 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -104.53 -40.0 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-O 117.45 -1.262 . . . . 35.09 108.523 177.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 61.28 64.98 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.324 -1.362 . . . . 56.55 107.324 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.36 156.0 25.68 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.403 -1.703 . . . . 60.54 106.403 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.4 154.43 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 126.8 2.562 . . . . 34.55 107.926 177.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -111.68 112.56 53.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 104.384 -2.45 . . . . 77.21 104.384 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.37 143.76 83.69 Favored 'Trans proline' 0 C--O 1.206 -1.092 0 C-N-CA 121.511 1.474 . . . . 30.61 108.546 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -63.73 154.16 34.08 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.019 -0.734 . . . . 36.11 109.019 167.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.4 tp -54.74 -47.44 98.12 Favored Pre-proline 0 N--CA 1.479 0.998 0 O-C-N 124.433 1.083 . . . . 30.05 110.443 -162.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -60.79 -36.39 84.43 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.667 1.988 . . . . 32.04 112.464 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.96 -38.31 64.26 Favored 'General case' 0 C--O 1.268 2.068 0 O-C-N 124.908 1.38 . . . . 22.97 107.48 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.87 -43.99 73.65 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.768 -0.456 . . . . 26.53 109.768 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.29 -42.75 96.13 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.693 0.797 . . . . 28.11 109.857 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.66 -50.99 77.21 Favored 'Isoleucine or valine' 0 C--O 1.26 1.623 0 CA-C-O 118.776 -0.63 . . . . 24.68 110.868 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.64 -45.05 95.69 Favored 'General case' 0 C--O 1.263 1.81 0 N-CA-C 109.216 -0.661 . . . . 27.06 109.216 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -56.1 -42.14 76.34 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 118.12 -0.943 . . . . 30.01 111.526 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.08 -22.53 66.97 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 116.901 -1.523 . . . . 28.5 110.235 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 1.75 56.87 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.674 1.579 . . . . 29.32 109.799 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.51 8.52 37.63 Favored Glycine 0 N--CA 1.479 1.534 0 CA-C-O 117.358 -1.801 . . . . 33.49 114.613 175.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.74 153.07 44.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.784 1.792 . . . . 29.44 108.36 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -129.9 143.32 50.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.448 1.093 . . . . 56.37 109.49 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.21 -164.44 36.76 Favored Glycine 0 C--O 1.262 1.87 0 N-CA-C 109.877 -1.289 . . . . 31.32 109.877 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.26 18.44 2.24 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 117.308 -1.757 . . . . 35.91 111.338 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttp -124.58 130.4 52.37 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 106.946 -1.501 . . . . 46.94 106.946 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.16 152.89 39.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 125.56 1.787 . . . . 28.14 110.443 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.9 p -72.75 158.77 34.94 Favored 'General case' 0 C--O 1.266 1.969 0 N-CA-C 107.822 -1.177 . . . . 35.26 107.822 161.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.3 t -66.03 -34.11 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 107.63 -1.248 . . . . 34.35 107.63 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -59.29 -42.48 91.37 Favored 'General case' 0 C--O 1.269 2.11 0 CA-C-O 118.625 -0.702 . . . . 39.27 109.754 176.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -65.32 -41.37 94.09 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.862 -0.792 . . . . 42.82 108.862 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.11 -44.97 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.619 -0.882 . . . . 25.39 108.619 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 75.8 mmm -65.58 -43.13 90.71 Favored 'General case' 0 C--O 1.269 2.125 0 N-CA-C 108.934 -0.765 . . . . 35.4 108.934 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -54.52 -52.4 62.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.956 -1.127 . . . . 48.85 107.956 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -68.84 -38.62 79.92 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 118.05 -0.976 . . . . 37.81 110.138 -172.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.15 -43.19 99.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.811 -1.09 . . . . 27.94 109.849 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.05 -47.27 90.2 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 109.966 -1.253 . . . . 29.29 109.966 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -60.14 -44.14 95.18 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 118.19 -0.91 . . . . 49.29 110.036 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . 0.451 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 88.9 t80 -54.73 -47.86 73.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.249 1.02 . . . . 28.87 110.021 179.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.31 -39.41 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.731 -0.84 . . . . 25.01 108.731 -176.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 93.8 mmm -68.61 -46.67 68.69 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 117.432 -1.27 . . . . 53.48 107.692 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 m -76.31 -27.18 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 CA-C-N 120.452 1.478 . . . . 46.18 110.319 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HD3' ' CZ ' ' A' ' 58' ' ' TYR . 29.9 mtpt -91.74 2.08 56.73 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.369 1.44 . . . . 43.02 109.826 179.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 52.18 50.49 18.31 Favored 'General case' 0 C--O 1.263 1.776 0 C-N-CA 124.767 1.227 . . . . 59.7 110.375 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.85 -6.87 57.88 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 122.901 0.48 . . . . 32.26 111.106 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -90.31 163.45 14.74 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.369 -0.974 . . . . 53.4 108.369 -177.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -95.44 125.54 40.13 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 106.169 -1.789 . . . . 50.41 106.169 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -64.74 -33.02 74.98 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 117.276 -1.345 . . . . 71.43 108.667 -170.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -70.41 -63.24 1.13 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.459 1.504 . . . . 82.05 110.25 174.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -103.91 80.34 1.74 Allowed 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.585 1.178 . . . . 71.38 107.835 -174.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -74.97 -10.09 59.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 117.33 -1.319 . . . . 61.96 111.05 -162.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -71.39 -16.42 62.41 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.866 1.666 . . . . 47.97 110.564 169.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.6 mmm -96.21 128.59 43.26 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.522 -0.918 . . . . 39.86 108.522 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.3 t -112.44 124.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.87 -1.159 . . . . 28.43 107.87 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -103.84 93.49 4.92 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.345 -0.983 . . . . 28.38 108.345 174.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 p -101.11 -6.74 23.94 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.382 1.473 . . . . 26.66 111.152 -172.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.9 139.8 46.91 Favored Glycine 0 C--O 1.266 2.133 0 N-CA-C 110.29 -1.124 . . . . 28.24 110.29 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.17 0.52 21.84 Favored Glycine 0 N--CA 1.487 2.079 0 CA-C-O 117.707 -1.607 . . . . 40.46 114.092 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -98.87 151.79 20.45 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 119.849 1.825 . . . . 32.17 107.19 166.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 tp -46.42 -39.85 11.21 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 123.695 0.622 . . . . 27.02 109.62 170.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.01 -42.84 99.22 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 118.096 -0.954 . . . . 28.76 109.434 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.14 98.96 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 124.456 1.097 . . . . 25.51 110.647 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -59.47 -47.16 86.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.517 -0.99 . . . . 33.14 111.384 174.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.84 -43.75 97.97 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 117.442 -1.265 . . . . 29.96 110.373 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.24 -18.53 61.22 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 116.964 -1.493 . . . . 31.07 111.104 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.88 37.98 93.38 Favored Glycine 0 N--CA 1.469 0.848 0 CA-C-O 118.35 -1.25 . . . . 30.75 111.847 -168.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -142.48 151.32 41.58 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 117.74 0.77 . . . . 50.16 111.993 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -79.6 -29.51 41.19 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.527 -0.761 . . . . 46.4 111.461 168.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.2 p -152.89 158.68 42.49 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 123.909 0.883 . . . . 28.15 109.023 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -157.94 160.58 37.72 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.312 -0.858 . . . . 34.91 108.823 162.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 t -106.01 132.79 51.68 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.615 1.822 . . . . 31.34 107.817 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.31 -18.54 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-O 116.726 -1.607 . . . . 39.31 108.692 175.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -73.3 -24.44 60.4 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 124.391 1.057 . . . . 72.42 110.06 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -130.48 71.56 82.25 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 107.745 -1.205 . . . . 57.84 107.745 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -87.13 21.14 1.1 Allowed 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.224 1.949 . . . . 37.09 115.644 -165.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 4.7 m -48.12 -47.37 65.88 Favored Pre-proline 0 N--CA 1.485 1.28 0 C-N-CA 124.31 1.044 . . . . 44.99 111.45 179.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 95' ' ' SER . 52.0 Cg_exo -62.02 -32.94 84.22 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 CA-C-N 119.458 0.842 . . . . 34.81 113.315 -177.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 tp -68.81 -44.52 73.34 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.146 -0.687 . . . . 34.97 109.146 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -54.06 -51.13 65.08 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.15 0.98 . . . . 35.09 108.619 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -57.05 -51.22 70.12 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 109.086 -0.709 . . . . 44.49 109.086 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.16 -42.55 98.76 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.842 -0.799 . . . . 26.14 108.842 -175.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.74 -36.25 65.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 118.096 -1.441 . . . . 35.8 109.456 -174.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -54.08 -37.79 64.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 117.809 -1.091 . . . . 67.91 109.113 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.21 -17.46 30.78 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 117.9 -1.048 . . . . 55.26 112.337 -175.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -119.3 1.67 11.3 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 116.172 -1.871 . . . . 27.11 111.668 -167.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 123.78 50.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 125.294 1.621 . . . . 34.12 107.91 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.5 t -101.73 128.92 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.693 -1.225 . . . . 44.18 107.693 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-N 119.09 0.859 . . . . 54.69 111.09 171.294 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' O4B . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' NUT . . . . . 0.403 ' C10' ' H7 ' ' A' ' 202' ' ' NUT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 107.009 -1.478 . . . . 59.26 107.009 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.84 -31.8 71.89 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 116.586 -1.673 . . . . 33.6 111.102 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -66.87 -44.0 82.07 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 119.537 1.062 . . . . 55.68 108.159 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -58.07 -48.05 81.31 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.35 1.06 . . . . 63.79 109.495 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.18 -48.23 80.95 Favored 'General case' 0 C--O 1.269 2.104 0 CA-C-N 115.787 -0.642 . . . . 45.09 109.423 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -58.44 -48.04 82.0 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 119.217 -0.42 . . . . 36.19 109.882 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -82.88 -12.15 57.63 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 116.767 -1.587 . . . . 37.21 110.98 -168.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.68 127.28 30.67 Favored 'General case' 0 C--O 1.276 2.471 0 C-N-CA 124.036 0.934 . . . . 64.44 109.931 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.1 2.14 88.27 Favored Glycine 0 N--CA 1.474 1.17 0 CA-C-O 118.234 -1.315 . . . . 43.29 111.871 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.06 24.05 2.56 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 125.369 1.467 . . . . 48.02 111.803 -170.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -93.87 -18.64 21.76 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 117.337 -1.316 . . . . 41.06 112.063 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -104.53 -40.0 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-O 117.45 -1.262 . . . . 35.09 108.523 177.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 61.28 64.98 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.324 -1.362 . . . . 56.55 107.324 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.36 156.0 25.68 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 106.403 -1.703 . . . . 60.54 106.403 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.4 154.43 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 126.8 2.562 . . . . 34.55 107.926 177.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -111.68 112.56 53.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 104.384 -2.45 . . . . 77.21 104.384 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.37 143.76 83.69 Favored 'Trans proline' 0 C--O 1.206 -1.092 0 C-N-CA 121.511 1.474 . . . . 30.61 108.546 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -63.73 154.16 34.08 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.019 -0.734 . . . . 36.11 109.019 167.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.4 tp -54.74 -47.44 98.12 Favored Pre-proline 0 N--CA 1.479 0.998 0 O-C-N 124.433 1.083 . . . . 30.05 110.443 -162.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -60.79 -36.39 84.43 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 CA-C-N 122.667 1.988 . . . . 32.04 112.464 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.96 -38.31 64.26 Favored 'General case' 0 C--O 1.268 2.068 0 O-C-N 124.908 1.38 . . . . 22.97 107.48 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.87 -43.99 73.65 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 109.768 -0.456 . . . . 26.53 109.768 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.29 -42.75 96.13 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.693 0.797 . . . . 28.11 109.857 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.66 -50.99 77.21 Favored 'Isoleucine or valine' 0 C--O 1.26 1.623 0 CA-C-O 118.776 -0.63 . . . . 24.68 110.868 174.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.64 -45.05 95.69 Favored 'General case' 0 C--O 1.263 1.81 0 N-CA-C 109.216 -0.661 . . . . 27.06 109.216 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -56.1 -42.14 76.34 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 118.12 -0.943 . . . . 30.01 111.526 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.08 -22.53 66.97 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 116.901 -1.523 . . . . 28.5 110.235 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 1.75 56.87 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.674 1.579 . . . . 29.32 109.799 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.51 8.52 37.63 Favored Glycine 0 N--CA 1.479 1.534 0 CA-C-O 117.358 -1.801 . . . . 33.49 114.613 175.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.74 153.07 44.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.784 1.792 . . . . 29.44 108.36 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -129.9 143.32 50.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.448 1.093 . . . . 56.37 109.49 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.21 -164.44 36.76 Favored Glycine 0 C--O 1.262 1.87 0 N-CA-C 109.877 -1.289 . . . . 31.32 109.877 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.26 18.44 2.24 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 117.308 -1.757 . . . . 35.91 111.338 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 31.3 ttp -124.58 130.4 52.37 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 106.946 -1.501 . . . . 46.94 106.946 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.16 152.89 39.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 125.56 1.787 . . . . 28.14 110.443 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.9 p -72.75 158.77 34.94 Favored 'General case' 0 C--O 1.266 1.969 0 N-CA-C 107.822 -1.177 . . . . 35.26 107.822 161.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.3 t -66.03 -34.11 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 107.63 -1.248 . . . . 34.35 107.63 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -59.29 -42.48 91.37 Favored 'General case' 0 C--O 1.269 2.11 0 CA-C-O 118.625 -0.702 . . . . 39.27 109.754 176.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -65.32 -41.37 94.09 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.862 -0.792 . . . . 42.82 108.862 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.11 -44.97 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.619 -0.882 . . . . 25.39 108.619 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 75.8 mmm -65.58 -43.13 90.71 Favored 'General case' 0 C--O 1.269 2.125 0 N-CA-C 108.934 -0.765 . . . . 35.4 108.934 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -54.52 -52.4 62.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.956 -1.127 . . . . 48.85 107.956 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -68.84 -38.62 79.92 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 118.05 -0.976 . . . . 37.81 110.138 -172.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.15 -43.19 99.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.811 -1.09 . . . . 27.94 109.849 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.05 -47.27 90.2 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 109.966 -1.253 . . . . 29.29 109.966 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -60.14 -44.14 95.18 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 118.19 -0.91 . . . . 49.29 110.036 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.451 ' CZ ' ' HD3' ' A' ' 62' ' ' LYS . 88.9 t80 -54.73 -47.86 73.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.249 1.02 . . . . 28.87 110.021 179.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.31 -39.41 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.731 -0.84 . . . . 25.01 108.731 -176.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 93.8 mmm -68.61 -46.67 68.69 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 117.432 -1.27 . . . . 53.48 107.692 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 m -76.31 -27.18 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 CA-C-N 120.452 1.478 . . . . 46.18 110.319 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HD3' ' CZ ' ' A' ' 58' ' ' TYR . 29.9 mtpt -91.74 2.08 56.73 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.369 1.44 . . . . 43.02 109.826 179.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 52.18 50.49 18.31 Favored 'General case' 0 C--O 1.263 1.776 0 C-N-CA 124.767 1.227 . . . . 59.7 110.375 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.85 -6.87 57.88 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 122.901 0.48 . . . . 32.26 111.106 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -90.31 163.45 14.74 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.369 -0.974 . . . . 53.4 108.369 -177.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -95.44 125.54 40.13 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 106.169 -1.789 . . . . 50.41 106.169 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -64.74 -33.02 74.98 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 117.276 -1.345 . . . . 71.43 108.667 -170.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -70.41 -63.24 1.13 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.459 1.504 . . . . 82.05 110.25 174.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -103.91 80.34 1.74 Allowed 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.585 1.178 . . . . 71.38 107.835 -174.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -74.97 -10.09 59.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 117.33 -1.319 . . . . 61.96 111.05 -162.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -71.39 -16.42 62.41 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.866 1.666 . . . . 47.97 110.564 169.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.6 mmm -96.21 128.59 43.26 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.522 -0.918 . . . . 39.86 108.522 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.3 t -112.44 124.49 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 107.87 -1.159 . . . . 28.43 107.87 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -103.84 93.49 4.92 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.345 -0.983 . . . . 28.38 108.345 174.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 4.4 p -101.11 -6.74 23.94 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.382 1.473 . . . . 26.66 111.152 -172.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.9 139.8 46.91 Favored Glycine 0 C--O 1.266 2.133 0 N-CA-C 110.29 -1.124 . . . . 28.24 110.29 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.17 0.52 21.84 Favored Glycine 0 N--CA 1.487 2.079 0 CA-C-O 117.707 -1.607 . . . . 40.46 114.092 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -98.87 151.79 20.45 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 119.849 1.825 . . . . 32.17 107.19 166.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 tp -46.42 -39.85 11.21 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 123.695 0.622 . . . . 27.02 109.62 170.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.01 -42.84 99.22 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 118.096 -0.954 . . . . 28.76 109.434 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.14 98.96 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 124.456 1.097 . . . . 25.51 110.647 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -59.47 -47.16 86.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.517 -0.99 . . . . 33.14 111.384 174.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.84 -43.75 97.97 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 117.442 -1.265 . . . . 29.96 110.373 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.24 -18.53 61.22 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 116.964 -1.493 . . . . 31.07 111.104 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.88 37.98 93.38 Favored Glycine 0 N--CA 1.469 0.848 0 CA-C-O 118.35 -1.25 . . . . 30.75 111.847 -168.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -142.48 151.32 41.58 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 117.74 0.77 . . . . 50.16 111.993 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -79.6 -29.51 41.19 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.527 -0.761 . . . . 46.4 111.461 168.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.2 p -152.89 158.68 42.49 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 123.909 0.883 . . . . 28.15 109.023 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -157.94 160.58 37.72 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.312 -0.858 . . . . 34.91 108.823 162.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 t -106.01 132.79 51.68 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.615 1.822 . . . . 31.34 107.817 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.31 -18.54 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 CA-C-O 116.726 -1.607 . . . . 39.31 108.692 175.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -73.3 -24.44 60.4 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 124.391 1.057 . . . . 72.42 110.06 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -130.48 71.56 82.25 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 107.745 -1.205 . . . . 57.84 107.745 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -87.13 21.14 1.1 Allowed 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.224 1.949 . . . . 37.09 115.644 -165.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 4.7 m -48.12 -47.37 65.88 Favored Pre-proline 0 N--CA 1.485 1.28 0 C-N-CA 124.31 1.044 . . . . 44.99 111.45 179.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 95' ' ' SER . 52.0 Cg_exo -62.02 -32.94 84.22 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 CA-C-N 119.458 0.842 . . . . 34.81 113.315 -177.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 tp -68.81 -44.52 73.34 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 109.146 -0.687 . . . . 34.97 109.146 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -54.06 -51.13 65.08 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.15 0.98 . . . . 35.09 108.619 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -57.05 -51.22 70.12 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 109.086 -0.709 . . . . 44.49 109.086 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.16 -42.55 98.76 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 108.842 -0.799 . . . . 26.14 108.842 -175.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.74 -36.25 65.14 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 118.096 -1.441 . . . . 35.8 109.456 -174.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -54.08 -37.79 64.62 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 117.809 -1.091 . . . . 67.91 109.113 172.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.21 -17.46 30.78 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 117.9 -1.048 . . . . 55.26 112.337 -175.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -119.3 1.67 11.3 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 116.172 -1.871 . . . . 27.11 111.668 -167.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 123.78 50.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 125.294 1.621 . . . . 34.12 107.91 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.5 t -101.73 128.92 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.693 -1.225 . . . . 44.18 107.693 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-N 119.09 0.859 . . . . 54.69 111.09 171.294 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' O4B . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' NUT . . . . . 0.403 ' C10' ' H7 ' ' A' ' 202' ' ' NUT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_