data_3vhs_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 3vhs _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 ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 104.186 -2.524 . . . . 48.6 104.186 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.75 141.1 42.85 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 117.273 -1.771 . . . . 46.39 110.737 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.0 156.03 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 123.683 0.614 . . . . 37.74 110.804 175.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -90.12 131.69 35.84 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 109.701 -0.481 . . . . 44.05 109.701 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.96 128.53 93.84 Favored Pre-proline 0 C--O 1.218 -0.587 0 C-N-CA 118.769 -1.172 . . . . 30.9 108.997 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -68.94 -9.92 27.69 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 O-C-N 122.481 0.727 . . . . 32.76 112.93 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -102.73 -55.52 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 114.14 1.163 . . . . 32.37 114.14 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.5 p -100.12 -11.18 20.72 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 113.031 0.752 . . . . 32.88 113.031 -174.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 82.53 -2.77 1.39 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 114.074 1.138 . . . . 47.79 114.074 172.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.36 142.19 58.51 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 121.789 -0.569 . . . . 35.09 110.909 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 82.0 mmm -87.06 138.95 31.06 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.76 -0.376 . . . . 42.8 111.366 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 ptp -160.34 157.97 25.11 Favored Pre-proline 0 CA--C 1.506 -0.745 0 N-CA-C 112.225 0.454 . . . . 34.12 112.225 -173.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -59.5 142.09 98.39 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 117.749 -1.034 . . . . 35.48 111.171 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.07 -28.99 59.83 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.92 -0.582 . . . . 36.0 111.582 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.24 -11.68 60.12 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 122.337 -0.227 . . . . 33.87 111.436 -174.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -95.41 -17.24 21.71 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 116.785 2.142 . . . . 39.04 116.785 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.305 10.2 tp -62.12 -41.29 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-O 121.366 0.603 . . . . 32.8 112.429 -165.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -65.68 -48.04 73.41 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.309 -0.405 . . . . 43.06 110.238 -177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -61.03 -39.61 90.44 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.846 0.716 . . . . 36.92 112.514 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -63.96 -48.03 78.08 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.088 -0.506 . . . . 30.12 110.605 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.13 -40.34 97.31 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-N 115.389 -0.823 . . . . 32.62 110.698 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -62.41 -46.11 90.06 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.688 -0.687 . . . . 42.97 112.629 174.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -73.07 -39.76 65.6 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 116.323 1.972 . . . . 62.44 116.323 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -84.97 -16.47 40.8 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 113.959 1.096 . . . . 42.43 113.959 -171.425 -58.2 -56.019 -76.459 103.59 2.027 105.258 -57.957 -55.895 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--O 1.252 1.232 0 C-N-CA 123.455 0.702 . . . . 46.8 109.729 -178.362 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 112.995 0.739 . . . . 61.63 112.995 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -96.84 127.63 43.01 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.99 -0.374 . . . . 53.13 109.99 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -82.7 136.14 34.82 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 54.33 112.177 170.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.96 149.72 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.988 -0.745 . . . . 42.4 108.988 168.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -88.39 132.99 34.22 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 113.063 0.764 . . . . 48.07 113.063 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.26 122.82 82.03 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-O 121.376 0.607 . . . . 35.68 111.135 172.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.38 -14.22 41.94 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.615 2.877 . . . . 36.11 114.464 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.2 t -97.77 -49.85 11.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 109.778 -0.453 . . . . 36.29 109.778 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 17.7 p -113.88 0.18 14.35 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.938 0.718 . . . . 38.48 112.938 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 57.97 26.3 13.27 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 116.014 1.857 . . . . 52.03 116.014 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -92.2 146.16 23.94 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.973 -0.751 . . . . 56.95 108.973 174.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 84.9 mmm -82.96 141.14 32.36 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.824 0.702 . . . . 53.07 110.753 173.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 11.3 ptp -159.92 166.63 15.56 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.987 0.515 . . . . 44.37 111.56 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -64.83 146.81 88.91 Favored 'Trans proline' 0 N--CA 1.438 -1.743 0 C-N-CA 115.737 -2.375 . . . . 40.73 112.218 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -31.54 67.29 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 114.478 -1.237 . . . . 38.82 111.249 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.53 66.6 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.331 -0.547 . . . . 37.08 110.241 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -110.11 -2.22 17.07 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 116.099 1.889 . . . . 38.66 116.099 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -33.84 66.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 C-N-CA 120.659 -0.417 . . . . 40.86 111.348 -178.07 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.32 -51.94 65.67 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 118.935 -1.106 . . . . 43.54 112.41 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.5 m -57.72 -32.54 67.51 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.468 1.107 . . . . 40.71 112.691 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -74.05 -35.69 64.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.072 0.949 . . . . 31.52 110.888 -170.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.17 141.98 28.05 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.49 -0.559 . . . . 41.75 109.49 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -108.58 148.15 30.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 117.631 -1.628 . . . . 46.39 110.751 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -94.67 168.32 10.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 123.611 0.569 . . . . 60.16 111.741 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -79.54 142.7 35.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 106.016 -1.846 . . . . 46.08 106.016 174.898 -55.895 -57.957 -76.459 105.258 2.027 103.59 -56.019 -58.2 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 112.85 0.685 . . . . 49.15 112.85 -179.067 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 104.186 -2.524 . . . . 48.600000000000001 104.186 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.75 141.1 42.85 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 117.273 -1.771 . . . . 46.390000000000001 110.737 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.0 156.03 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 123.683 0.614 . . . . 37.740000000000002 110.804 175.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -90.12 131.69 35.84 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 109.701 -0.481 . . . . 44.049999999999997 109.701 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.96 128.53 93.84 Favored Pre-proline 0 C--O 1.218 -0.587 0 C-N-CA 118.769 -1.172 . . . . 30.899999999999999 108.997 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -68.94 -9.92 27.69 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 O-C-N 122.481 0.727 . . . . 32.759999999999998 112.93 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -102.73 -55.52 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 114.14 1.163 . . . . 32.369999999999997 114.14 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 15.5 p -100.12 -11.18 20.72 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 113.031 0.752 . . . . 32.880000000000003 113.031 -174.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 23' ' ' CYS . 11.2 mm100 82.53 -2.77 1.39 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 114.074 1.138 . . . . 47.789999999999999 114.074 172.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.36 142.19 58.51 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 121.789 -0.569 . . . . 35.090000000000003 110.909 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 82.0 mmm -87.06 138.95 31.06 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.76 -0.376 . . . . 42.799999999999997 111.366 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 ptp -160.34 157.97 25.11 Favored Pre-proline 0 CA--C 1.506 -0.745 0 N-CA-C 112.225 0.454 . . . . 34.119999999999997 112.225 -173.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -59.5 142.09 98.39 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 117.749 -1.034 . . . . 35.479999999999997 111.171 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.07 -28.99 59.83 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.92 -0.582 . . . . 36.0 111.582 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.24 -11.68 60.12 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 122.337 -0.227 . . . . 33.869999999999997 111.436 -174.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -95.41 -17.24 21.71 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 116.785 2.142 . . . . 39.039999999999999 116.785 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.305 10.2 tp -62.12 -41.29 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-O 121.366 0.603 . . . . 32.799999999999997 112.429 -165.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -65.68 -48.04 73.41 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.309 -0.405 . . . . 43.060000000000002 110.238 -177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -61.03 -39.61 90.44 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.846 0.716 . . . . 36.920000000000002 112.514 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -63.96 -48.03 78.08 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.088 -0.506 . . . . 30.120000000000001 110.605 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.13 -40.34 97.31 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-N 115.389 -0.823 . . . . 32.619999999999997 110.698 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -62.41 -46.11 90.06 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.688 -0.687 . . . . 42.969999999999999 112.629 174.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -73.07 -39.76 65.6 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 116.323 1.972 . . . . 62.439999999999998 116.323 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -84.97 -16.47 40.8 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 113.959 1.096 . . . . 42.43 113.959 -171.425 -58.2 -56.019 -76.459 103.59 2.027 105.258 -57.957 -55.895 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--O 1.252 1.232 0 C-N-CA 123.455 0.702 . . . . 46.799999999999997 109.729 -178.362 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 112.995 0.739 . . . . 61.630000000000003 112.995 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -96.84 127.63 43.01 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.99 -0.374 . . . . 53.130000000000003 109.99 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -82.7 136.14 34.82 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 54.329999999999998 112.177 170.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.96 149.72 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.988 -0.745 . . . . 42.399999999999999 108.988 168.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -88.39 132.99 34.22 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 113.063 0.764 . . . . 48.07 113.063 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.26 122.82 82.03 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-O 121.376 0.607 . . . . 35.68 111.135 172.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.38 -14.22 41.94 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.615 2.877 . . . . 36.109999999999999 114.464 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.2 t -97.77 -49.85 11.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 109.778 -0.453 . . . . 36.289999999999999 109.778 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' CYS . . . . . 0.477 ' SG ' ' HG2' ' B' ' 25' ' ' GLN . 17.7 p -113.88 0.18 14.35 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.938 0.718 . . . . 38.479999999999997 112.938 -171.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 57.97 26.3 13.27 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 116.014 1.857 . . . . 52.030000000000001 116.014 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLN . . . . . 0.477 ' HG2' ' SG ' ' B' ' 23' ' ' CYS . 44.4 mm-40 -92.2 146.16 23.94 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.973 -0.751 . . . . 56.950000000000003 108.973 174.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 84.9 mmm -82.96 141.14 32.36 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.824 0.702 . . . . 53.07 110.753 173.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 11.3 ptp -159.92 166.63 15.56 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.987 0.515 . . . . 44.369999999999997 111.56 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -64.83 146.81 88.91 Favored 'Trans proline' 0 N--CA 1.438 -1.743 0 C-N-CA 115.737 -2.375 . . . . 40.729999999999997 112.218 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -31.54 67.29 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 114.478 -1.237 . . . . 38.82 111.249 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.53 66.6 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.331 -0.547 . . . . 37.079999999999998 110.241 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -110.11 -2.22 17.07 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 116.099 1.889 . . . . 38.659999999999997 116.099 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -33.84 66.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 C-N-CA 120.659 -0.417 . . . . 40.859999999999999 111.348 -178.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.32 -51.94 65.67 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 118.935 -1.106 . . . . 43.539999999999999 112.41 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.5 m -57.72 -32.54 67.51 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.468 1.107 . . . . 40.710000000000001 112.691 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -74.05 -35.69 64.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.072 0.949 . . . . 31.52 110.888 -170.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.17 141.98 28.05 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.49 -0.559 . . . . 41.75 109.49 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -108.58 148.15 30.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 117.631 -1.628 . . . . 46.390000000000001 110.751 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -94.67 168.32 10.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 123.611 0.569 . . . . 60.159999999999997 111.741 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -79.54 142.7 35.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 106.016 -1.846 . . . . 46.079999999999998 106.016 174.898 -55.895 -57.957 -76.459 105.258 2.027 103.59 -56.019 -58.2 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 112.85 0.685 . . . . 49.149999999999999 112.85 -179.067 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 104.186 -2.524 . . . . 48.600000000000001 104.186 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.75 141.1 42.85 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 117.273 -1.771 . . . . 46.390000000000001 110.737 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.0 156.03 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 123.683 0.614 . . . . 37.740000000000002 110.804 175.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -90.12 131.69 35.84 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 109.701 -0.481 . . . . 44.049999999999997 109.701 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.96 128.53 93.84 Favored Pre-proline 0 C--O 1.218 -0.587 0 C-N-CA 118.769 -1.172 . . . . 30.899999999999999 108.997 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -68.94 -9.92 27.69 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 O-C-N 122.481 0.727 . . . . 32.759999999999998 112.93 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -102.73 -55.52 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 114.14 1.163 . . . . 32.369999999999997 114.14 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 15.5 p -100.12 -11.18 20.72 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 113.031 0.752 . . . . 32.880000000000003 113.031 -174.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 23' ' ' CYS . 11.2 mm100 82.53 -2.77 1.39 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 114.074 1.138 . . . . 47.789999999999999 114.074 172.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.36 142.19 58.51 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 121.789 -0.569 . . . . 35.090000000000003 110.909 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 82.0 mmm -87.06 138.95 31.06 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.76 -0.376 . . . . 42.799999999999997 111.366 171.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 ptp -160.34 157.97 25.11 Favored Pre-proline 0 CA--C 1.506 -0.745 0 N-CA-C 112.225 0.454 . . . . 34.119999999999997 112.225 -173.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -59.5 142.09 98.39 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 117.749 -1.034 . . . . 35.479999999999997 111.171 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.07 -28.99 59.83 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.92 -0.582 . . . . 36.0 111.582 -177.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.24 -11.68 60.12 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 122.337 -0.227 . . . . 33.869999999999997 111.436 -174.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -95.41 -17.24 21.71 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 116.785 2.142 . . . . 39.039999999999999 116.785 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.305 10.2 tp -62.12 -41.29 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-O 121.366 0.603 . . . . 32.799999999999997 112.429 -165.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -65.68 -48.04 73.41 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.309 -0.405 . . . . 43.060000000000002 110.238 -177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -61.03 -39.61 90.44 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.846 0.716 . . . . 36.920000000000002 112.514 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -63.96 -48.03 78.08 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.088 -0.506 . . . . 30.120000000000001 110.605 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -63.13 -40.34 97.31 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-N 115.389 -0.823 . . . . 32.619999999999997 110.698 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -62.41 -46.11 90.06 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.688 -0.687 . . . . 42.969999999999999 112.629 174.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -73.07 -39.76 65.6 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 116.323 1.972 . . . . 62.439999999999998 116.323 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -84.97 -16.47 40.8 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 113.959 1.096 . . . . 42.43 113.959 -171.425 -58.2 -56.019 -76.459 103.59 2.027 105.258 -57.957 -55.895 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--O 1.252 1.232 0 C-N-CA 123.455 0.702 . . . . 46.799999999999997 109.729 -178.362 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 112.995 0.739 . . . . 61.630000000000003 112.995 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -96.84 127.63 43.01 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.99 -0.374 . . . . 53.130000000000003 109.99 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -82.7 136.14 34.82 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.853 0.861 . . . . 54.329999999999998 112.177 170.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.96 149.72 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 108.988 -0.745 . . . . 42.399999999999999 108.988 168.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -88.39 132.99 34.22 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 113.063 0.764 . . . . 48.07 113.063 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.26 122.82 82.03 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-O 121.376 0.607 . . . . 35.68 111.135 172.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.38 -14.22 41.94 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.615 2.877 . . . . 36.109999999999999 114.464 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.2 t -97.77 -49.85 11.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 109.778 -0.453 . . . . 36.289999999999999 109.778 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' CYS . . . . . 0.477 ' SG ' ' HG2' ' B' ' 25' ' ' GLN . 17.7 p -113.88 0.18 14.35 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.938 0.718 . . . . 38.479999999999997 112.938 -171.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 57.97 26.3 13.27 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 116.014 1.857 . . . . 52.030000000000001 116.014 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.477 ' HG2' ' SG ' ' B' ' 23' ' ' CYS . 44.4 mm-40 -92.2 146.16 23.94 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 108.973 -0.751 . . . . 56.950000000000003 108.973 174.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 84.9 mmm -82.96 141.14 32.36 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.824 0.702 . . . . 53.07 110.753 173.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 11.3 ptp -159.92 166.63 15.56 Favored Pre-proline 0 C--O 1.239 0.516 0 C-N-CA 122.987 0.515 . . . . 44.369999999999997 111.56 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -64.83 146.81 88.91 Favored 'Trans proline' 0 N--CA 1.438 -1.743 0 C-N-CA 115.737 -2.375 . . . . 40.729999999999997 112.218 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -31.54 67.29 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 114.478 -1.237 . . . . 38.82 111.249 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.53 66.6 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.331 -0.547 . . . . 37.079999999999998 110.241 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -110.11 -2.22 17.07 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 116.099 1.889 . . . . 38.659999999999997 116.099 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -33.84 66.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 C-N-CA 120.659 -0.417 . . . . 40.859999999999999 111.348 -178.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.32 -51.94 65.67 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 118.935 -1.106 . . . . 43.539999999999999 112.41 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 15.5 m -57.72 -32.54 67.51 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.468 1.107 . . . . 40.710000000000001 112.691 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -74.05 -35.69 64.32 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.072 0.949 . . . . 31.52 110.888 -170.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.17 141.98 28.05 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.49 -0.559 . . . . 41.75 109.49 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -108.58 148.15 30.75 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 117.631 -1.628 . . . . 46.390000000000001 110.751 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -94.67 168.32 10.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 123.611 0.569 . . . . 60.159999999999997 111.741 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -79.54 142.7 35.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 106.016 -1.846 . . . . 46.079999999999998 106.016 174.898 -55.895 -57.957 -76.459 105.258 2.027 103.59 -56.019 -58.2 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 112.85 0.685 . . . . 49.149999999999999 112.85 -179.067 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_