data_2pk7_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 2pk7 _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 ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.877 -0.416 . . . . 68.52 109.877 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -43.94 157.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.361 1.615 . . . . 55.45 115.361 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -65.32 -42.77 92.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.573 0.953 . . . . 38.41 113.573 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.03 -16.82 14.07 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.686 0.995 . . . . 42.66 113.686 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -82.11 -22.41 36.24 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.598 -0.519 . . . . 59.14 109.598 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -97.28 -27.04 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.769 1.396 . . . . 48.68 114.769 -177.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.0 mt -82.47 144.2 30.61 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.684 -0.407 . . . . 31.7 112.052 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.11 153.41 51.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 110.169 -0.308 . . . . 32.73 110.169 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -63.47 130.95 94.65 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 106.773 -1.566 . . . . 36.25 106.773 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.74 -17.87 47.6 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 N-CA-C 114.378 0.876 . . . . 44.84 114.378 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -88.25 -62.05 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 113.216 0.821 . . . . 43.15 113.216 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 p -98.45 -11.22 22.57 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 115.64 1.718 . . . . 38.21 115.64 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 122' ' ' HOH . 25.6 mmmt 69.65 17.17 7.88 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.562 0.949 . . . . 48.25 113.562 179.404 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.23 178.19 47.79 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.526 -0.845 . . . . 27.35 111.542 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -62.71 161.81 27.27 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.056 1.837 . . . . 34.61 113.214 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.412 -1.699 . . . . 28.06 106.412 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -125.25 139.4 53.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.15 -0.685 . . . . 51.35 109.15 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.84 131.12 43.31 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.032 -2.21 . . . . 34.02 105.032 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -65.32 166.08 10.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.524 0.202 . . . . 33.85 110.88 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.19 -50.8 68.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.843 0.683 . . . . 38.69 112.843 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -80.18 6.16 12.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.209 0.448 . . . . 51.03 112.209 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 60.47 20.14 9.86 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.078 2.251 . . . . 47.43 117.078 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -103.99 3.84 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.496 0.924 . . . . 35.66 113.496 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -147.94 157.61 43.61 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 119.176 -1.01 . . . . 39.32 111.894 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.37 109.06 18.87 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 101.153 -3.647 . . . . 25.56 101.153 175.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.54 138.05 19.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 122.253 1.025 . . . . 37.83 112.812 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -118.64 90.0 3.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 113.961 -1.472 . . . . 28.5 108.214 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.194 -0.457 . . . . 31.28 110.083 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.39 -22.96 68.02 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.862 -1.161 . . . . 29.7 111.691 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.43 -9.45 13.33 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.812 0.671 . . . . 33.15 112.812 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.06 30.85 69.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.315 -0.945 . . . . 26.64 111.455 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.6 mt -131.82 157.69 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.698 0.629 . . . . 28.49 112.698 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.13 121.98 35.81 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 105.101 -2.185 . . . . 22.18 105.101 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -91.3 127.79 49.67 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.026 -1.101 . . . . 30.42 108.026 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -73.48 149.03 43.71 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 121.682 1.588 . . . . 24.21 113.694 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.0 mt -109.17 114.37 46.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 101.033 -3.691 . . . . 28.19 101.033 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -115.57 114.39 24.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.741 1.015 . . . . 34.9 113.741 -177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t0 49.94 52.06 15.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 58.7 109.986 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.99 83.78 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 117.484 1.754 . . . . 30.22 117.484 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.1 mm -120.55 124.06 27.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 117.938 0.869 . . . . 27.91 111.219 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -81.31 104.21 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 N-CA-C 108.118 -1.532 . . . . 28.18 108.118 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -82.88 95.62 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.0 0.905 . . . . 25.41 108.794 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MSE . . . . . . . . . . . . . 90.8 mtp -99.48 69.37 1.65 Allowed 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 118.383 2.734 . . . . 65.11 118.383 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.6 mt -127.83 140.55 51.96 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 104.222 -2.51 . . . . 32.01 104.222 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -60.41 -38.55 84.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.559 . . . . 52.47 109.751 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.4 p -60.49 -19.31 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.634 -0.712 . . . . 36.29 112.828 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -109.06 -4.99 16.2 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 114.596 1.332 . . . . 40.5 114.596 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 162.46 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 116.534 2.049 . . . . 28.98 116.534 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -104.07 132.82 49.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 104.634 -2.358 . . . . 36.5 104.634 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.07 135.49 36.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.157 -1.794 . . . . 39.07 106.157 179.296 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.22 144.01 56.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 28.0 111.701 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 p -73.89 174.43 8.53 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.533 0.682 . . . . 29.07 110.549 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -60.89 -45.29 95.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 31.04 109.175 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . . . -63.89 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.703 0.631 . . . . 36.46 112.703 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.71 -34.62 77.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.875 -0.73 . . . . 37.0 111.88 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -76.28 -19.04 58.66 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 115.256 1.576 . . . . 39.65 115.256 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.83 162.07 29.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.243 -1.391 . . . . 48.09 107.243 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.86 136.32 38.88 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.336 -0.616 . . . . 56.59 109.336 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 140' ' ' HOH . . . -63.01 116.01 4.94 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.371 -0.377 . . . . 60.09 110.907 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . . . -90.01 107.21 18.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.516 -0.311 . . . . 71.45 111.682 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.28 -69.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.378 0.424 . . . . 73.13 111.212 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 179.6 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.67 111.165 -176.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -66.06 -42.4 89.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 59.82 111.217 -145.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 65.12 111.182 -172.482 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 109.865 -0.42 . . . . 34.18 109.865 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.29 153.79 27.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.983 0.42 . . . . 60.56 110.5 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.6 tp -50.11 -52.02 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.833 1.049 . . . . 29.18 113.833 -178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.0 -22.19 1.49 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 114.916 1.45 . . . . 42.85 114.916 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -81.23 -18.92 44.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.442 1.645 . . . . 50.55 115.442 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.8 pt -108.64 -16.5 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 118.602 -1.239 . . . . 35.73 113.755 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.8 mt -74.62 156.95 36.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 103.873 -2.64 . . . . 26.91 103.873 177.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.04 40.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.212 -1.403 . . . . 30.87 107.212 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.54 131.52 94.85 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 116.137 -0.483 . . . . 34.57 111.421 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.63 -32.88 68.76 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.943 2.428 . . . . 39.24 112.041 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mm -83.5 -53.28 11.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 114.803 1.409 . . . . 45.98 114.803 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.31 -3.47 18.33 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 116.865 2.172 . . . . 37.62 116.865 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm 66.68 14.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.331 -0.148 . . . . 68.67 110.628 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.15 166.96 41.03 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.166 -1.016 . . . . 38.42 113.673 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -61.04 155.19 51.88 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.903 3.069 . . . . 35.98 111.792 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -121.71 148.69 44.29 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.081 -1.081 . . . . 27.98 108.081 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' B' ' 162' ' ' HOH . 21.0 mtmm -125.84 148.88 49.02 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.3 -1.37 . . . . 69.18 107.3 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 tp -79.53 121.12 24.83 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.324 -1.732 . . . . 30.08 106.324 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -53.84 157.5 2.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.81 0.338 . . . . 22.38 110.212 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.6 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.074 0.768 . . . . 35.03 113.074 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 45.9 p30 -87.38 1.22 53.97 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.838 -1.145 . . . . 33.54 108.649 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.35 33.55 18.73 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 117.121 2.267 . . . . 69.3 117.121 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 -10.74 15.29 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.92 -0.4 . . . . 35.52 109.92 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.01 165.64 25.2 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 113.341 0.867 . . . . 30.48 113.341 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.4 mt -112.57 114.8 27.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 101.385 -3.561 . . . . 25.62 101.385 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 31.3 mm -85.73 130.31 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 114.88 1.437 . . . . 22.64 114.88 -177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -117.61 97.46 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 105.982 -1.859 . . . . 26.65 105.982 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -68.65 -39.83 80.49 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 105.458 -2.052 . . . . 52.51 105.458 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.27 -27.28 2.66 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 114.979 -1.009 . . . . 29.71 113.027 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.64 -1.18 10.09 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 114.944 1.461 . . . . 29.25 114.944 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.59 32.39 81.41 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 108.731 -1.747 . . . . 33.45 108.731 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -130.85 156.72 44.54 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 116.554 2.057 . . . . 40.63 116.554 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.86 110.05 11.01 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.32 -0.622 . . . . 27.37 109.32 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -81.73 131.14 58.45 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 34.49 109.325 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.6 145.74 33.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.822 2.348 . . . . 35.57 114.299 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 84.8 mt -107.39 113.92 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 101.888 -3.375 . . . . 28.9 101.888 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -132.41 141.26 48.79 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.137 -0.483 . . . . 67.98 111.154 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 50.95 33.36 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.654 -0.703 . . . . 37.76 110.047 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.87 21.42 79.0 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 117.861 1.904 . . . . 35.38 117.861 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -128.43 134.54 26.38 Favored Pre-proline 0 CA--C 1.511 -0.535 0 N-CA-C 110.001 -0.37 . . . . 45.46 110.001 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.77 118.0 4.06 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 114.74 -3.04 . . . . 33.82 106.013 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.6 t -82.12 89.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 31.95 111.174 -176.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' MSE . . . . . 1.27 ' CG ' 'SE ' ' B' ' 45' ' ' MSE . 0.5 OUTLIER -87.93 75.47 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 54.07 111.178 -174.853 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 84.3 mt -140.58 130.44 24.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 39.34 111.239 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.73 -36.84 67.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.955 -1.869 . . . . 63.52 105.955 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -60.15 -26.63 66.44 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.34 1.237 . . . . 46.71 114.34 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -104.57 -17.08 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.357 0.873 . . . . 48.32 113.357 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 153.83 31.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.853 1.427 . . . . 36.91 114.853 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -102.94 136.2 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.784 -1.562 . . . . 37.53 106.784 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -74.49 125.97 29.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.156 -1.424 . . . . 34.97 107.156 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.01 139.99 58.83 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.312 -0.555 . . . . 27.23 109.749 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 82.5 p -70.3 169.43 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.021 -0.733 . . . . 31.31 109.021 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.0 m -56.13 -48.38 76.34 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.043 -0.526 . . . . 25.93 111.92 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . . . -59.61 -33.05 71.0 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 112.785 0.661 . . . . 29.49 112.785 -178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.62 -31.77 65.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.047 -0.524 . . . . 28.86 112.365 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -79.21 -29.68 42.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.311 0.486 . . . . 46.99 112.311 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.49 164.56 13.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.746 -1.205 . . . . 40.36 107.746 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . . . -100.5 127.86 46.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.093 -1.817 . . . . 64.24 106.093 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . . . -58.95 -23.85 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.355 -0.609 . . . . 73.76 109.355 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.525 0 N-CA-C 115.973 1.842 . . . . 75.21 115.973 -179.13 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . 0.469 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' 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 ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' HOH . . . . . 0.419 ' O ' ' NZ ' ' B' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.877 -0.416 . . . . 68.519999999999996 109.877 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -43.94 157.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.361 1.615 . . . . 55.450000000000003 115.361 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -65.32 -42.77 92.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.573 0.953 . . . . 38.409999999999997 113.573 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.03 -16.82 14.07 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.686 0.995 . . . . 42.659999999999997 113.686 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -82.11 -22.41 36.24 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.598 -0.519 . . . . 59.140000000000001 109.598 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -97.28 -27.04 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.769 1.396 . . . . 48.68 114.769 -177.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.0 mt -82.47 144.2 30.61 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.684 -0.407 . . . . 31.699999999999999 112.052 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.11 153.41 51.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 110.169 -0.308 . . . . 32.729999999999997 110.169 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -63.47 130.95 94.65 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 106.773 -1.566 . . . . 36.25 106.773 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' ' O ' ' A' ' 122' ' ' HOH . 71.9 Cg_endo -67.74 -17.87 47.6 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 N-CA-C 114.378 0.876 . . . . 44.840000000000003 114.378 -179.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -88.25 -62.05 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 113.216 0.821 . . . . 43.149999999999999 113.216 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 p -98.45 -11.22 22.57 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 115.64 1.718 . . . . 38.210000000000001 115.64 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 122' ' ' HOH . 25.6 mmmt 69.65 17.17 7.88 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.562 0.949 . . . . 48.25 113.562 179.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.23 178.19 47.79 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.526 -0.845 . . . . 27.350000000000001 111.542 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -62.71 161.81 27.27 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.056 1.837 . . . . 34.609999999999999 113.214 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . 0.811 HD11 ' HE1' ' A' ' 45' ' ' MSE . 74.4 mt -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.412 -1.699 . . . . 28.059999999999999 106.412 178.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 10.7 mtmp? -125.25 139.4 53.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.15 -0.685 . . . . 51.350000000000001 109.15 179.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.84 131.12 43.31 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.032 -2.21 . . . . 34.020000000000003 105.032 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -65.32 166.08 10.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.524 0.202 . . . . 33.850000000000001 110.88 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' O ' ' HD2' ' A' ' 24' ' ' LYS . . . -55.19 -50.8 68.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.843 0.683 . . . . 38.689999999999998 112.843 179.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -80.18 6.16 12.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.209 0.448 . . . . 51.030000000000001 112.209 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' A' ' 22' ' ' ALA . 2.9 mptp? 60.47 20.14 9.86 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.078 2.251 . . . . 47.43 117.078 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -103.99 3.84 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.496 0.924 . . . . 35.659999999999997 113.496 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -147.94 157.61 43.61 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 119.176 -1.01 . . . . 39.32 111.894 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.37 109.06 18.87 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 101.153 -3.647 . . . . 25.559999999999999 101.153 175.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.54 138.05 19.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 122.253 1.025 . . . . 37.829999999999998 112.812 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -118.64 90.0 3.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 113.961 -1.472 . . . . 28.5 108.214 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.194 -0.457 . . . . 31.280000000000001 110.083 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.39 -22.96 68.02 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.862 -1.161 . . . . 29.699999999999999 111.691 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.43 -9.45 13.33 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.812 0.671 . . . . 33.149999999999999 112.812 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' HD12 ' A' ' 53' ' ' LEU . . . 70.06 30.85 69.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.315 -0.945 . . . . 26.640000000000001 111.455 179.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.6 mt -131.82 157.69 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.698 0.629 . . . . 28.489999999999998 112.698 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.13 121.98 35.81 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 105.101 -2.185 . . . . 22.18 105.101 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -91.3 127.79 49.67 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.026 -1.101 . . . . 30.420000000000002 108.026 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -73.48 149.03 43.71 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 121.682 1.588 . . . . 24.210000000000001 113.694 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.0 mt -109.17 114.37 46.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 101.033 -3.691 . . . . 28.190000000000001 101.033 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -115.57 114.39 24.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.741 1.015 . . . . 34.899999999999999 113.741 -177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t0 49.94 52.06 15.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 58.700000000000003 109.986 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.99 83.78 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 117.484 1.754 . . . . 30.219999999999999 117.484 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . 0.703 HD12 ' HG2' ' B' ' 45' ' ' MSE . 48.1 mm -120.55 124.06 27.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 117.938 0.869 . . . . 27.91 111.219 179.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HD3' HD22 ' B' ' 9' ' ' LEU . 67.0 Cg_endo -81.31 104.21 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 N-CA-C 108.118 -1.532 . . . . 28.18 108.118 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -82.88 95.62 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.0 0.905 . . . . 25.41 108.794 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MSE . . . . . 0.811 ' HE1' HD11 ' A' ' 18' ' ' LEU . 90.8 mtp -99.48 69.37 1.65 Allowed 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 118.383 2.734 . . . . 65.109999999999999 118.383 -177.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.6 mt -127.83 140.55 51.96 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 104.222 -2.51 . . . . 32.009999999999998 104.222 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -60.41 -38.55 84.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.559 . . . . 52.469999999999999 109.751 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.4 p -60.49 -19.31 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.634 -0.712 . . . . 36.289999999999999 112.828 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -109.06 -4.99 16.2 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 114.596 1.332 . . . . 40.5 114.596 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 162.46 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 116.534 2.049 . . . . 28.98 116.534 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -104.07 132.82 49.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 104.634 -2.358 . . . . 36.5 104.634 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.07 135.49 36.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.157 -1.794 . . . . 39.07 106.157 179.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 0.43 HD12 ' HA2' ' A' ' 33' ' ' GLY . 75.9 mt -62.22 144.01 56.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 28.0 111.701 -178.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' HG3' ' A' ' 57' ' ' GLU . 77.0 p -73.89 174.43 8.53 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.533 0.682 . . . . 29.07 110.549 179.58 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -60.89 -45.29 95.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 31.039999999999999 109.175 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . . . -63.89 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.703 0.631 . . . . 36.460000000000001 112.703 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 48.7 mt-10 -67.71 -34.62 77.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.875 -0.73 . . . . 37.0 111.88 179.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -76.28 -19.04 58.66 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 115.256 1.576 . . . . 39.649999999999999 115.256 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.83 162.07 29.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.243 -1.391 . . . . 48.090000000000003 107.243 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.86 136.32 38.88 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.336 -0.616 . . . . 56.590000000000003 109.336 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . . . -63.01 116.01 4.94 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.371 -0.377 . . . . 60.090000000000003 110.907 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . . . -90.01 107.21 18.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.516 -0.311 . . . . 71.450000000000003 111.682 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.28 -69.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.378 0.424 . . . . 73.129999999999995 111.212 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 179.6 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.670000000000002 111.165 -176.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -66.06 -42.4 89.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 59.82 111.217 -145.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 65.120000000000005 111.182 -172.482 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 109.865 -0.42 . . . . 34.18 109.865 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.29 153.79 27.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.983 0.42 . . . . 60.560000000000002 110.5 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.6 tp -50.11 -52.02 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.833 1.049 . . . . 29.18 113.833 -178.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.0 -22.19 1.49 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 114.916 1.45 . . . . 42.850000000000001 114.916 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -81.23 -18.92 44.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.442 1.645 . . . . 50.549999999999997 115.442 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.8 pt -108.64 -16.5 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 118.602 -1.239 . . . . 35.729999999999997 113.755 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.639 HD22 ' HD3' ' A' ' 43' ' ' PRO . 29.8 mt -74.62 156.95 36.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 103.873 -2.64 . . . . 26.91 103.873 177.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.04 40.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.212 -1.403 . . . . 30.870000000000001 107.212 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.54 131.52 94.85 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 116.137 -0.483 . . . . 34.57 111.421 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' PRO . . . . . 0.554 ' HG3' ' HG3' ' B' ' 45' ' ' MSE . 20.5 Cg_endo -63.63 -32.88 68.76 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.943 2.428 . . . . 39.240000000000002 112.041 179.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mm -83.5 -53.28 11.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 114.803 1.409 . . . . 45.979999999999997 114.803 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.31 -3.47 18.33 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 116.865 2.172 . . . . 37.619999999999997 116.865 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm 66.68 14.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.331 -0.148 . . . . 68.670000000000002 110.628 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.15 166.96 41.03 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.166 -1.016 . . . . 38.420000000000002 113.673 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -61.04 155.19 51.88 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.903 3.069 . . . . 35.979999999999997 111.792 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -121.71 148.69 44.29 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.081 -1.081 . . . . 27.98 108.081 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' B' ' 162' ' ' HOH . 21.0 mtmm -125.84 148.88 49.02 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.3 -1.37 . . . . 69.180000000000007 107.3 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 tp -79.53 121.12 24.83 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.324 -1.732 . . . . 30.079999999999998 106.324 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -53.84 157.5 2.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.81 0.338 . . . . 22.379999999999999 110.212 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.6 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.074 0.768 . . . . 35.030000000000001 113.074 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . 0.678 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 45.9 p30 -87.38 1.22 53.97 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.838 -1.145 . . . . 33.539999999999999 108.649 178.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' B' ' 23' ' ' ASP . 0.0 OUTLIER 54.35 33.55 18.73 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 117.121 2.267 . . . . 69.299999999999997 117.121 179.957 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 -10.74 15.29 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.92 -0.4 . . . . 35.520000000000003 109.92 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.01 165.64 25.2 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 113.341 0.867 . . . . 30.48 113.341 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.4 mt -112.57 114.8 27.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 101.385 -3.561 . . . . 25.620000000000001 101.385 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 31.3 mm -85.73 130.31 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 114.88 1.437 . . . . 22.640000000000001 114.88 -177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -117.61 97.46 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 105.982 -1.859 . . . . 26.649999999999999 105.982 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -68.65 -39.83 80.49 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 105.458 -2.052 . . . . 52.509999999999998 105.458 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.27 -27.28 2.66 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 114.979 -1.009 . . . . 29.710000000000001 113.027 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.64 -1.18 10.09 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 114.944 1.461 . . . . 29.25 114.944 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.59 32.39 81.41 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 108.731 -1.747 . . . . 33.450000000000003 108.731 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -130.85 156.72 44.54 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 116.554 2.057 . . . . 40.630000000000003 116.554 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.86 110.05 11.01 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.32 -0.622 . . . . 27.370000000000001 109.32 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -81.73 131.14 58.45 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 34.490000000000002 109.325 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HG2' ' HB ' ' B' ' 44' ' ' VAL . 51.6 Cg_endo -74.6 145.74 33.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.822 2.348 . . . . 35.57 114.299 -179.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 84.8 mt -107.39 113.92 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 101.888 -3.375 . . . . 28.899999999999999 101.888 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -132.41 141.26 48.79 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.137 -0.483 . . . . 67.980000000000004 111.154 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 50.95 33.36 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.654 -0.703 . . . . 37.759999999999998 110.047 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.87 21.42 79.0 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 117.861 1.904 . . . . 35.380000000000003 117.861 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -128.43 134.54 26.38 Favored Pre-proline 0 CA--C 1.511 -0.535 0 N-CA-C 110.001 -0.37 . . . . 45.460000000000001 110.001 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.77 118.0 4.06 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 114.74 -3.04 . . . . 33.82 106.013 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . 0.47 ' HB ' ' HG2' ' B' ' 37' ' ' PRO . 99.6 t -82.12 89.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 31.949999999999999 111.174 -176.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' MSE . . . . . 1.27 'SE ' ' CG ' ' B' ' 45' ' ' MSE . 0.5 OUTLIER -87.93 75.47 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 54.07 111.178 -174.853 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . 0.597 HD23 ' O ' ' B' ' 45' ' ' MSE . 84.3 mt -140.58 130.44 24.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 39.340000000000003 111.239 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.73 -36.84 67.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.955 -1.869 . . . . 63.520000000000003 105.955 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -60.15 -26.63 66.44 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.34 1.237 . . . . 46.710000000000001 114.34 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -104.57 -17.08 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.357 0.873 . . . . 48.32 113.357 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 153.83 31.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.853 1.427 . . . . 36.909999999999997 114.853 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -102.94 136.2 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.784 -1.562 . . . . 37.530000000000001 106.784 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -74.49 125.97 29.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.156 -1.424 . . . . 34.969999999999999 107.156 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.01 139.99 58.83 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.312 -0.555 . . . . 27.23 109.749 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 82.5 p -70.3 169.43 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.021 -0.733 . . . . 31.309999999999999 109.021 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.0 m -56.13 -48.38 76.34 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.043 -0.526 . . . . 25.93 111.92 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . . . -59.61 -33.05 71.0 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 112.785 0.661 . . . . 29.489999999999998 112.785 -178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.62 -31.77 65.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.047 -0.524 . . . . 28.859999999999999 112.365 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -79.21 -29.68 42.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.311 0.486 . . . . 46.990000000000002 112.311 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.49 164.56 13.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.746 -1.205 . . . . 40.359999999999999 107.746 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . . . -100.5 127.86 46.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.093 -1.817 . . . . 64.239999999999995 106.093 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . . . -58.95 -23.85 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.355 -0.609 . . . . 73.760000000000005 109.355 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.525 0 N-CA-C 115.973 1.842 . . . . 75.209999999999994 115.973 -179.13 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.64 ' O ' ' HA ' ' A' ' 12' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' 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 ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 162' ' ' HOH . . . . . 0.419 ' O ' ' NZ ' ' B' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.877 -0.416 . . . . 68.52 109.877 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -43.94 157.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.361 1.615 . . . . 55.45 115.361 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -65.32 -42.77 92.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.573 0.953 . . . . 38.41 113.573 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.03 -16.82 14.07 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.686 0.995 . . . . 42.66 113.686 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -82.11 -22.41 36.24 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.598 -0.519 . . . . 59.14 109.598 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -97.28 -27.04 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.769 1.396 . . . . 48.68 114.769 -177.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.0 mt -82.47 144.2 30.61 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.684 -0.407 . . . . 31.7 112.052 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.11 153.41 51.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 110.169 -0.308 . . . . 32.73 110.169 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -63.47 130.95 94.65 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 106.773 -1.566 . . . . 36.25 106.773 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' ' O ' ' A' ' 122' ' ' HOH . 71.9 Cg_endo -67.74 -17.87 47.6 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 N-CA-C 114.378 0.876 . . . . 44.84 114.378 -179.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -88.25 -62.05 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 113.216 0.821 . . . . 43.15 113.216 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 p -98.45 -11.22 22.57 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 115.64 1.718 . . . . 38.21 115.64 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 122' ' ' HOH . 25.6 mmmt 69.65 17.17 7.88 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.562 0.949 . . . . 48.25 113.562 179.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.23 178.19 47.79 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.526 -0.845 . . . . 27.35 111.542 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -62.71 161.81 27.27 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.056 1.837 . . . . 34.61 113.214 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.811 HD11 ' HE1' ' A' ' 45' ' ' MSE . 74.4 mt -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.412 -1.699 . . . . 28.06 106.412 178.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 10.7 mtmp? -125.25 139.4 53.75 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.15 -0.685 . . . . 51.35 109.15 179.465 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.84 131.12 43.31 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.032 -2.21 . . . . 34.02 105.032 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -65.32 166.08 10.63 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.524 0.202 . . . . 33.85 110.88 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' O ' ' HD2' ' A' ' 24' ' ' LYS . . . -55.19 -50.8 68.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.843 0.683 . . . . 38.69 112.843 179.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -80.18 6.16 12.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.209 0.448 . . . . 51.03 112.209 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' A' ' 22' ' ' ALA . 2.9 mptp? 60.47 20.14 9.86 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.078 2.251 . . . . 47.43 117.078 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -103.99 3.84 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.496 0.924 . . . . 35.66 113.496 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -147.94 157.61 43.61 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 119.176 -1.01 . . . . 39.32 111.894 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.8 mt -111.37 109.06 18.87 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 101.153 -3.647 . . . . 25.56 101.153 175.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.54 138.05 19.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 122.253 1.025 . . . . 37.83 112.812 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -118.64 90.0 3.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 113.961 -1.472 . . . . 28.5 108.214 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.194 -0.457 . . . . 31.28 110.083 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.39 -22.96 68.02 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.862 -1.161 . . . . 29.7 111.691 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.43 -9.45 13.33 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.812 0.671 . . . . 33.15 112.812 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' HD12 ' A' ' 53' ' ' LEU . . . 70.06 30.85 69.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.315 -0.945 . . . . 26.64 111.455 179.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.6 mt -131.82 157.69 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.698 0.629 . . . . 28.49 112.698 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.13 121.98 35.81 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 105.101 -2.185 . . . . 22.18 105.101 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -91.3 127.79 49.67 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.026 -1.101 . . . . 30.42 108.026 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -73.48 149.03 43.71 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 121.682 1.588 . . . . 24.21 113.694 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.0 mt -109.17 114.37 46.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 101.033 -3.691 . . . . 28.19 101.033 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -115.57 114.39 24.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.741 1.015 . . . . 34.9 113.741 -177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t0 49.94 52.06 15.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 58.7 109.986 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.99 83.78 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 117.484 1.754 . . . . 30.22 117.484 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.703 HD12 ' HG2' ' B' ' 45' ' ' MSE . 48.1 mm -120.55 124.06 27.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 117.938 0.869 . . . . 27.91 111.219 179.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HD3' HD22 ' B' ' 9' ' ' LEU . 67.0 Cg_endo -81.31 104.21 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 N-CA-C 108.118 -1.532 . . . . 28.18 108.118 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -82.88 95.62 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.0 0.905 . . . . 25.41 108.794 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MSE . . . . . 0.811 ' HE1' HD11 ' A' ' 18' ' ' LEU . 90.8 mtp -99.48 69.37 1.65 Allowed 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 118.383 2.734 . . . . 65.11 118.383 -177.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.6 mt -127.83 140.55 51.96 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 104.222 -2.51 . . . . 32.01 104.222 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -60.41 -38.55 84.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.559 . . . . 52.47 109.751 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.4 p -60.49 -19.31 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.634 -0.712 . . . . 36.29 112.828 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -109.06 -4.99 16.2 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 114.596 1.332 . . . . 40.5 114.596 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 162.46 20.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 116.534 2.049 . . . . 28.98 116.534 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -104.07 132.82 49.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 104.634 -2.358 . . . . 36.5 104.634 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.07 135.49 36.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.157 -1.794 . . . . 39.07 106.157 179.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.43 HD12 ' HA2' ' A' ' 33' ' ' GLY . 75.9 mt -62.22 144.01 56.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 28.0 111.701 -178.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' HG3' ' A' ' 57' ' ' GLU . 77.0 p -73.89 174.43 8.53 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.533 0.682 . . . . 29.07 110.549 179.58 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -60.89 -45.29 95.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 31.04 109.175 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . . . -63.89 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.703 0.631 . . . . 36.46 112.703 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 48.7 mt-10 -67.71 -34.62 77.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.875 -0.73 . . . . 37.0 111.88 179.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -76.28 -19.04 58.66 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 115.256 1.576 . . . . 39.65 115.256 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.83 162.07 29.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.243 -1.391 . . . . 48.09 107.243 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.86 136.32 38.88 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.336 -0.616 . . . . 56.59 109.336 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . . . -63.01 116.01 4.94 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.371 -0.377 . . . . 60.09 110.907 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . . . -90.01 107.21 18.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.516 -0.311 . . . . 71.45 111.682 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.28 -69.97 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.378 0.424 . . . . 73.13 111.212 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 179.6 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.67 111.165 -176.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -66.06 -42.4 89.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 59.82 111.217 -145.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 65.12 111.182 -172.482 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 109.865 -0.42 . . . . 34.18 109.865 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.29 153.79 27.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.983 0.42 . . . . 60.56 110.5 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.6 tp -50.11 -52.02 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.833 1.049 . . . . 29.18 113.833 -178.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.0 -22.19 1.49 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 114.916 1.45 . . . . 42.85 114.916 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -81.23 -18.92 44.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.442 1.645 . . . . 50.55 115.442 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.8 pt -108.64 -16.5 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 118.602 -1.239 . . . . 35.73 113.755 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.639 HD22 ' HD3' ' A' ' 43' ' ' PRO . 29.8 mt -74.62 156.95 36.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 103.873 -2.64 . . . . 26.91 103.873 177.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.04 40.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.212 -1.403 . . . . 30.87 107.212 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.54 131.52 94.85 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 116.137 -0.483 . . . . 34.57 111.421 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.554 ' HG3' ' HG3' ' B' ' 45' ' ' MSE . 20.5 Cg_endo -63.63 -32.88 68.76 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.943 2.428 . . . . 39.24 112.041 179.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mm -83.5 -53.28 11.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 114.803 1.409 . . . . 45.98 114.803 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.31 -3.47 18.33 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 116.865 2.172 . . . . 37.62 116.865 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm 66.68 14.82 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.331 -0.148 . . . . 68.67 110.628 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.15 166.96 41.03 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.166 -1.016 . . . . 38.42 113.673 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -61.04 155.19 51.88 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.903 3.069 . . . . 35.98 111.792 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -121.71 148.69 44.29 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.081 -1.081 . . . . 27.98 108.081 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' B' ' 162' ' ' HOH . 21.0 mtmm -125.84 148.88 49.02 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.3 -1.37 . . . . 69.18 107.3 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 tp -79.53 121.12 24.83 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.324 -1.732 . . . . 30.08 106.324 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -53.84 157.5 2.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.81 0.338 . . . . 22.38 110.212 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.6 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.074 0.768 . . . . 35.03 113.074 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.678 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 45.9 p30 -87.38 1.22 53.97 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 118.838 -1.145 . . . . 33.54 108.649 178.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' B' ' 23' ' ' ASP . 0.0 OUTLIER 54.35 33.55 18.73 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 117.121 2.267 . . . . 69.3 117.121 179.957 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 -10.74 15.29 Favored 'General case' 0 C--O 1.227 -0.112 0 N-CA-C 109.92 -0.4 . . . . 35.52 109.92 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.01 165.64 25.2 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 113.341 0.867 . . . . 30.48 113.341 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.4 mt -112.57 114.8 27.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 101.385 -3.561 . . . . 25.62 101.385 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 31.3 mm -85.73 130.31 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 114.88 1.437 . . . . 22.64 114.88 -177.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 34.9 t -117.61 97.46 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 105.982 -1.859 . . . . 26.65 105.982 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -68.65 -39.83 80.49 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 105.458 -2.052 . . . . 52.51 105.458 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.27 -27.28 2.66 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 114.979 -1.009 . . . . 29.71 113.027 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -120.64 -1.18 10.09 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 114.944 1.461 . . . . 29.25 114.944 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.59 32.39 81.41 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 108.731 -1.747 . . . . 33.45 108.731 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 73.3 mt -130.85 156.72 44.54 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 116.554 2.057 . . . . 40.63 116.554 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.86 110.05 11.01 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.32 -0.622 . . . . 27.37 109.32 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -81.73 131.14 58.45 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 34.49 109.325 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HG2' ' HB ' ' B' ' 44' ' ' VAL . 51.6 Cg_endo -74.6 145.74 33.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.822 2.348 . . . . 35.57 114.299 -179.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 84.8 mt -107.39 113.92 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 101.888 -3.375 . . . . 28.9 101.888 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -132.41 141.26 48.79 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.137 -0.483 . . . . 67.98 111.154 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 50.95 33.36 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.654 -0.703 . . . . 37.76 110.047 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.87 21.42 79.0 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 117.861 1.904 . . . . 35.38 117.861 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -128.43 134.54 26.38 Favored Pre-proline 0 CA--C 1.511 -0.535 0 N-CA-C 110.001 -0.37 . . . . 45.46 110.001 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.77 118.0 4.06 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 114.74 -3.04 . . . . 33.82 106.013 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.47 ' HB ' ' HG2' ' B' ' 37' ' ' PRO . 99.6 t -82.12 89.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.374 . . . . 31.95 111.174 -176.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' MSE . . . . . 1.27 ' CG ' 'SE ' ' B' ' 45' ' ' MSE . 0.5 OUTLIER -87.93 75.47 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 54.07 111.178 -174.853 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.597 HD23 ' O ' ' B' ' 45' ' ' MSE . 84.3 mt -140.58 130.44 24.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 39.34 111.239 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.73 -36.84 67.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.955 -1.869 . . . . 63.52 105.955 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -60.15 -26.63 66.44 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.34 1.237 . . . . 46.71 114.34 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -104.57 -17.08 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.357 0.873 . . . . 48.32 113.357 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 153.83 31.39 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.853 1.427 . . . . 36.91 114.853 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -102.94 136.2 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.784 -1.562 . . . . 37.53 106.784 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 28.7 m -74.49 125.97 29.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.156 -1.424 . . . . 34.97 107.156 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.01 139.99 58.83 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.312 -0.555 . . . . 27.23 109.749 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 82.5 p -70.3 169.43 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.021 -0.733 . . . . 31.31 109.021 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.0 m -56.13 -48.38 76.34 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.043 -0.526 . . . . 25.93 111.92 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . . . -59.61 -33.05 71.0 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 112.785 0.661 . . . . 29.49 112.785 -178.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.62 -31.77 65.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.047 -0.524 . . . . 28.86 112.365 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -79.21 -29.68 42.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.311 0.486 . . . . 46.99 112.311 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.49 164.56 13.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.746 -1.205 . . . . 40.36 107.746 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . . . -100.5 127.86 46.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.093 -1.817 . . . . 64.24 106.093 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . . . -58.95 -23.85 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.355 -0.609 . . . . 73.76 109.355 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.525 0 N-CA-C 115.973 1.842 . . . . 75.21 115.973 -179.13 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.64 ' O ' ' HA ' ' A' ' 12' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' 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 ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' HOH . . . . . 0.419 ' O ' ' NZ ' ' B' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_