data_1fna_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 1fna _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 ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 CA-C-O 121.939 0.876 . . . . 42.91 109.554 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -133.78 116.02 15.22 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 125.142 2.401 . . . . 48.5 112.446 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.4 135.71 38.9 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 112.202 -2.272 . . . . 16.33 110.559 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -148.76 155.36 40.87 Favored 'General case' 0 N--CA 1.492 1.662 1 O-C-N 130.501 4.876 . . . . 40.49 110.808 179.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.8 t -90.13 111.71 23.68 Favored 'Isoleucine or valine' 0 C--O 1.27 2.154 0 N-CA-C 103.692 -2.706 . . . . 8.72 103.692 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -92.61 -22.45 5.89 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 CA-C-N 122.453 2.388 . . . . 13.79 114.971 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.9 143.99 25.63 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 126.1 2.125 . . . . 7.89 105.734 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.47 162.15 38.91 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 120.162 -1.586 . . . . 7.08 113.619 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . 0.661 ' HG1' ' H ' ' A' ' 16' ' ' THR . 2.5 p -138.91 179.48 1.3 Allowed Pre-proline 0 C--O 1.261 1.685 0 N-CA-C 104.083 -2.562 . . . . 7.14 104.083 177.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -68.52 -17.45 43.48 Favored 'Trans proline' 0 C--O 1.189 -1.94 0 CA-C-N 121.053 1.412 . . . . 3.68 112.597 179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . 0.661 ' H ' ' HG1' ' A' ' 14' ' ' THR . 36.5 p -125.06 0.48 7.9 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 112.902 -3.428 . . . . 3.4 115.427 -174.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.4 p -158.74 157.35 31.55 Favored 'General case' 0 C--N 1.275 -2.665 1 O-C-N 130.046 4.591 . . . . 12.75 109.972 179.592 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -147.94 165.6 30.22 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 113.148 -3.311 . . . . 12.96 110.226 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 122.79 43.23 Favored 'General case' 0 N--CA 1.522 3.139 1 O-C-N 136.021 8.325 . . . . 11.58 103.257 178.609 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 pt -107.76 150.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 119.493 -2.004 . . . . 4.87 108.617 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -138.93 143.81 38.79 Favored 'General case' 0 C--N 1.281 -2.376 0 O-C-N 126.348 2.28 . . . . 10.68 105.826 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.4 p90 -143.95 168.8 19.11 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.602 -0.726 . . . . 9.49 109.558 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.9 136.39 33.19 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-O 114.861 -2.495 . . . . 29.53 106.698 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 143.16 73.62 Favored Pre-proline 0 N--CA 1.512 2.629 1 O-C-N 131.899 5.749 . . . . 15.92 105.867 177.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -70.21 174.49 9.82 Favored 'Trans proline' 0 C--O 1.249 1.056 0 C-N-CA 122.84 2.36 . . . . 16.16 107.825 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.05 -19.21 63.3 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 112.757 -2.02 . . . . 29.94 113.851 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.01 158.24 4.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 125.774 1.921 . . . . 25.05 113.035 -176.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.43 133.16 46.6 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-O 115.718 -2.087 . . . . 27.77 106.18 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.0 t -111.78 137.6 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 127.97 3.294 . . . . 7.91 112.319 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -75.99 -53.75 7.9 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 108.879 -0.786 . . . . 20.82 108.879 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.85 167.65 27.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 125.436 1.71 . . . . 7.41 107.82 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -112.95 147.23 37.54 Favored 'General case' 0 C--O 1.27 2.133 0 O-C-N 127.611 3.069 . . . . 5.19 107.418 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -102.55 124.29 47.83 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-O 114.961 -2.447 . . . . 9.73 105.329 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.6 mt -104.46 127.22 58.99 Favored 'Isoleucine or valine' 0 C--O 1.279 2.657 1 O-C-N 130.239 4.712 . . . . 18.32 103.962 176.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 p -120.35 146.78 45.81 Favored 'General case' 0 CA--C 1.578 2.03 0 CA-C-O 112.179 -3.772 . . . . 7.09 107.773 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -153.18 148.19 26.62 Favored 'General case' 0 N--CA 1.52 3.069 1 O-C-N 132.945 6.403 . . . . 14.3 108.173 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.43 161.02 31.01 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 114.039 -3.645 . . . . 6.73 108.841 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.53 123.88 24.07 Favored 'General case' 0 N--CA 1.535 3.805 1 O-C-N 137.058 8.152 . . . . 28.08 106.194 179.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -60.24 126.24 26.76 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 117.896 -1.05 . . . . 9.62 111.784 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.05 85.75 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-O 118.449 -1.195 . . . . 15.96 112.869 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.2 174.28 38.46 Favored Glycine 0 N--CA 1.479 1.524 1 CA-C-O 112.708 -4.384 . . . . 10.22 107.509 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.41 13.93 9.55 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 131.692 4.995 . . . . 16.24 112.028 -178.843 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -85.37 153.88 59.32 Favored Pre-proline 0 C--N 1.31 -1.152 0 O-C-N 125.172 1.545 . . . . 33.48 109.404 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.8 151.51 83.7 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 N-CA-C 106.379 -2.2 . . . . 24.41 106.379 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.2 t -70.0 154.01 8.35 Favored 'Isoleucine or valine' 0 C--O 1.264 1.822 0 N-CA-C 105.867 -1.901 . . . . 14.92 105.867 177.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -97.8 154.31 17.7 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 106.478 -1.675 . . . . 30.37 106.478 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -148.74 141.64 24.73 Favored 'General case' 0 C--O 1.261 1.685 0 CA-C-O 111.906 -3.902 . . . . 8.06 111.873 -178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -143.59 162.85 34.83 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 129.048 3.968 . . . . 7.96 106.159 176.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . 0.325 84.6 m -106.87 146.29 31.14 Favored 'General case' 0 C--O 1.282 2.787 0 O-C-N 125.732 1.895 . . . . 6.06 110.956 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -119.47 133.54 23.8 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 128.612 2.765 . . . . 7.27 107.556 170.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 144.85 51.47 Favored 'Trans proline' 0 C--O 1.264 1.801 0 O-C-N 125.27 2.195 . . . . 9.41 110.801 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 -12.36 35.26 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-O 115.618 -2.768 . . . . 9.77 116.291 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 p -85.77 -14.19 45.96 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 113.688 -3.053 . . . . 15.71 110.731 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -104.16 163.87 12.1 Favored 'General case' 0 C--N 1.307 -1.24 1 O-C-N 129.682 4.364 . . . . 33.92 111.126 -176.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -139.99 19.2 2.46 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-O 114.612 -2.613 . . . . 13.71 110.364 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.4 p -137.39 157.92 45.54 Favored 'General case' 0 C--N 1.28 -2.434 1 O-C-N 129.55 4.281 . . . . 8.89 106.43 176.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.73 148.26 12.22 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 116.37 -1.776 . . . . 3.94 109.044 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.2 m -95.05 136.09 35.79 Favored 'General case' 0 C--N 1.287 -2.145 1 O-C-N 129.765 4.416 . . . . 8.58 108.634 175.294 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.5 mt -111.19 125.07 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 CA-C-O 113.659 -3.067 . . . . 6.21 106.735 172.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -123.24 -179.18 4.21 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 127.957 3.286 . . . . 6.48 107.482 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.9 70.25 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 113.784 -3.786 . . . . 8.35 112.41 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -87.9 166.2 14.71 Favored 'General case' 0 CA--C 1.553 1.096 0 O-C-N 129.719 3.835 . . . . 5.38 110.657 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . 0.853 ' H ' ' HH ' ' A' ' 68' ' ' TYR . 53.3 mttt -102.75 141.52 22.67 Favored Pre-proline 0 N--CA 1.485 1.316 0 O-C-N 128.164 3.415 . . . . 25.8 105.357 179.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -69.54 144.87 56.62 Favored 'Trans proline' 0 C--O 1.28 2.623 0 C-N-CA 121.748 1.632 . . . . 8.81 110.468 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.19 34.62 80.67 Favored Glycine 0 C--N 1.294 -1.796 0 C-N-CA 130.159 3.743 . . . . 7.89 119.936 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.5 t -118.37 140.25 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 112.296 -1.952 . . . . 6.86 111.022 -177.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.04 127.87 34.17 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 127.58 3.05 . . . . 22.16 109.29 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TYR . . . . . 0.853 ' HH ' ' H ' ' A' ' 63' ' ' LYS . 79.7 m-85 -116.74 147.29 42.16 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 127.181 2.801 . . . . 5.95 108.588 178.817 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . 0.581 ' HG1' ' ND2' ' A' ' 91' ' ' ASN . 44.8 m -105.08 126.3 51.93 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 102.064 -3.31 . . . . 9.94 102.064 175.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.8 mt -125.71 130.14 72.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 127.554 3.034 . . . . 6.03 106.298 -175.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -131.41 142.39 50.02 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 127.349 2.905 . . . . 3.77 112.016 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.46 136.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 127.451 2.969 . . . . 6.53 106.529 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.18 140.21 52.84 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 114.127 -2.844 . . . . 5.83 106.644 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.54 138.4 40.96 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 126.718 2.512 . . . . 7.13 105.127 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.42 125.52 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 N-CA-C 104.236 -2.505 . . . . 8.34 104.236 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.4 p -101.28 165.55 11.22 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 116.514 -1.708 . . . . 15.59 106.472 -178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -93.22 28.43 9.72 Favored Glycine 0 N--CA 1.513 3.816 0 C-N-CA 114.045 -3.931 . . . . 29.12 108.36 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -115.62 5.62 14.37 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 126.058 1.681 . . . . 83.73 112.915 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.79 121.64 1.65 Allowed Glycine 0 N--CA 1.496 2.641 0 O-C-N 121.001 -1.062 . . . . 69.55 113.146 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -100.65 127.11 47.16 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 119.82 -1.988 . . . . 92.43 114.719 -177.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 83' ' ' ALA . 3.3 m 173.58 -171.78 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 101.124 -3.658 . . . . 85.4 101.124 -179.687 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -62.6 -5.94 7.99 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 115.797 -2.335 . . . . 84.37 110.842 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 81' ' ' SER . . . -79.35 50.22 1.07 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.251 1.02 . . . . 79.39 113.742 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -126.12 -73.34 0.63 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.159 -1.052 . . . . 75.87 108.159 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 m -165.72 134.12 3.1 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.776 0.83 . . . . 66.18 110.468 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -52.14 131.34 41.27 Favored Pre-proline 0 N--CA 1.478 0.933 0 N-CA-C 113.632 0.975 . . . . 63.17 113.632 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.03 149.15 91.08 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 CA-C-O 116.787 -1.422 . . . . 13.04 112.921 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.252 35.1 pt -119.02 130.95 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 1 O-C-N 130.547 4.905 . . . . 15.38 103.888 178.865 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.0 m -135.16 159.45 41.49 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 117.375 -1.73 . . . . 18.04 114.054 -177.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 pt -152.12 156.32 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.388 1 O-C-N 130.587 4.929 . . . . 12.98 107.217 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASN . . . . . 0.581 ' ND2' ' HG1' ' A' ' 69' ' ' THR . 9.9 m120 -110.93 134.71 52.34 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 102.93 -2.989 . . . . 26.23 102.93 174.892 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -143.79 131.09 20.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 128.137 3.398 . . . . 5.66 108.88 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -101.88 125.88 48.66 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.231 -1.35 . . . . 7.94 109.442 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -69.83 141.39 53.28 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-O 113.621 -3.085 . . . . 4.18 107.54 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.19 165.33 18.55 Favored 'General case' 0 C--N 1.275 -2.662 2 O-C-N 133.015 6.447 . . . . 8.29 106.106 176.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--N 1.372 1.545 1 O-C-N 115.356 -4.59 . . . . 22.33 108.714 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 CA-C-O 121.939 0.876 . . . . 42.91 109.554 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -133.78 116.02 15.22 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 125.142 2.401 . . . . 48.5 112.446 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.4 135.71 38.9 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 112.202 -2.272 . . . . 16.33 110.559 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -148.76 155.36 40.87 Favored 'General case' 0 N--CA 1.492 1.662 1 O-C-N 130.501 4.876 . . . . 40.49 110.808 179.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.8 t -90.13 111.71 23.68 Favored 'Isoleucine or valine' 0 C--O 1.27 2.154 0 N-CA-C 103.692 -2.706 . . . . 8.72 103.692 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 19' ' ' LEU . 14.5 m -92.61 -22.45 5.89 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 CA-C-N 122.453 2.388 . . . . 13.79 114.971 -178.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.9 143.99 25.63 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 126.1 2.125 . . . . 7.89 105.734 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.47 162.15 38.91 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 120.162 -1.586 . . . . 7.08 113.619 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -138.91 179.48 1.3 Allowed Pre-proline 0 C--O 1.261 1.685 0 N-CA-C 104.083 -2.562 . . . . 7.14 104.083 177.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -68.52 -17.45 43.48 Favored 'Trans proline' 0 C--O 1.189 -1.94 0 CA-C-N 121.053 1.412 . . . . 3.68 112.597 179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.5 p -125.06 0.48 7.9 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 112.902 -3.428 . . . . 3.4 115.427 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.4 p -158.74 157.35 31.55 Favored 'General case' 0 C--N 1.275 -2.665 1 O-C-N 130.046 4.591 . . . . 12.75 109.972 179.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' CD1' HG23 ' A' ' 20' ' ' ILE . 1.7 pp -147.94 165.6 30.22 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 113.148 -3.311 . . . . 12.96 110.226 178.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -118.79 122.79 43.23 Favored 'General case' 0 N--CA 1.522 3.139 1 O-C-N 136.021 8.325 . . . . 11.58 103.257 178.609 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' A' ' 18' ' ' LEU . 22.7 pt -107.76 150.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 119.493 -2.004 . . . . 4.87 108.617 178.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -138.93 143.81 38.79 Favored 'General case' 0 C--N 1.281 -2.376 0 O-C-N 126.348 2.28 . . . . 10.68 105.826 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.4 p90 -143.95 168.8 19.11 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.602 -0.726 . . . . 9.49 109.558 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.9 136.39 33.19 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-O 114.861 -2.495 . . . . 29.53 106.698 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 143.16 73.62 Favored Pre-proline 0 N--CA 1.512 2.629 1 O-C-N 131.899 5.749 . . . . 15.92 105.867 177.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -70.21 174.49 9.82 Favored 'Trans proline' 0 C--O 1.249 1.056 0 C-N-CA 122.84 2.36 . . . . 16.16 107.825 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.05 -19.21 63.3 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 112.757 -2.02 . . . . 29.94 113.851 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.01 158.24 4.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 125.774 1.921 . . . . 25.05 113.035 -176.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.43 133.16 46.6 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-O 115.718 -2.087 . . . . 27.77 106.18 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.0 t -111.78 137.6 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 127.97 3.294 . . . . 7.91 112.319 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -75.99 -53.75 7.9 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 108.879 -0.786 . . . . 20.82 108.879 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.85 167.65 27.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 125.436 1.71 . . . . 7.41 107.82 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -112.95 147.23 37.54 Favored 'General case' 0 C--O 1.27 2.133 0 O-C-N 127.611 3.069 . . . . 5.19 107.418 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -102.55 124.29 47.83 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-O 114.961 -2.447 . . . . 9.73 105.329 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 48' ' ' PHE . 50.6 mt -104.46 127.22 58.99 Favored 'Isoleucine or valine' 0 C--O 1.279 2.657 1 O-C-N 130.239 4.712 . . . . 18.32 103.962 176.124 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . 0.472 ' HB ' ' CG1' ' A' ' 45' ' ' VAL . 62.9 p -120.35 146.78 45.81 Favored 'General case' 0 CA--C 1.578 2.03 0 CA-C-O 112.179 -3.772 . . . . 7.09 107.773 175.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -153.18 148.19 26.62 Favored 'General case' 0 N--CA 1.52 3.069 1 O-C-N 132.945 6.403 . . . . 14.3 108.173 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.43 161.02 31.01 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 114.039 -3.645 . . . . 6.73 108.841 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.53 123.88 24.07 Favored 'General case' 0 N--CA 1.535 3.805 1 O-C-N 137.058 8.152 . . . . 28.08 106.194 179.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -60.24 126.24 26.76 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 117.896 -1.05 . . . . 9.62 111.784 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.05 85.75 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-O 118.449 -1.195 . . . . 15.96 112.869 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.2 174.28 38.46 Favored Glycine 0 N--CA 1.479 1.524 1 CA-C-O 112.708 -4.384 . . . . 10.22 107.509 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -123.41 13.93 9.55 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 131.692 4.995 . . . . 16.24 112.028 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -85.37 153.88 59.32 Favored Pre-proline 0 C--N 1.31 -1.152 0 O-C-N 125.172 1.545 . . . . 33.48 109.404 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.8 151.51 83.7 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 N-CA-C 106.379 -2.2 . . . . 24.41 106.379 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 35' ' ' THR . 73.2 t -70.0 154.01 8.35 Favored 'Isoleucine or valine' 0 C--O 1.264 1.822 0 N-CA-C 105.867 -1.901 . . . . 14.92 105.867 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -97.8 154.31 17.7 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 106.478 -1.675 . . . . 30.37 106.478 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -148.74 141.64 24.73 Favored 'General case' 0 C--O 1.261 1.685 0 CA-C-O 111.906 -3.902 . . . . 8.06 111.873 -178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . 0.435 ' CE1' HD12 ' A' ' 34' ' ' ILE . 26.3 p90 -143.59 162.85 34.83 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 129.048 3.968 . . . . 7.96 106.159 176.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . 0.325 84.6 m -106.87 146.29 31.14 Favored 'General case' 0 C--O 1.282 2.787 0 O-C-N 125.732 1.895 . . . . 6.06 110.956 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -119.47 133.54 23.8 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 128.612 2.765 . . . . 7.27 107.556 170.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 144.85 51.47 Favored 'Trans proline' 0 C--O 1.264 1.801 0 O-C-N 125.27 2.195 . . . . 9.41 110.801 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 -12.36 35.26 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-O 115.618 -2.768 . . . . 9.77 116.291 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 p -85.77 -14.19 45.96 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 113.688 -3.053 . . . . 15.71 110.731 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -104.16 163.87 12.1 Favored 'General case' 0 C--N 1.307 -1.24 1 O-C-N 129.682 4.364 . . . . 33.92 111.126 -176.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -139.99 19.2 2.46 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-O 114.612 -2.613 . . . . 13.71 110.364 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.4 p -137.39 157.92 45.54 Favored 'General case' 0 C--N 1.28 -2.434 1 O-C-N 129.55 4.281 . . . . 8.89 106.43 176.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.73 148.26 12.22 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 116.37 -1.776 . . . . 3.94 109.044 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.2 m -95.05 136.09 35.79 Favored 'General case' 0 C--N 1.287 -2.145 1 O-C-N 129.765 4.416 . . . . 8.58 108.634 175.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -111.19 125.07 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 CA-C-O 113.659 -3.067 . . . . 6.21 106.735 172.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -123.24 -179.18 4.21 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 127.957 3.286 . . . . 6.48 107.482 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.9 70.25 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 113.784 -3.786 . . . . 8.35 112.41 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -87.9 166.2 14.71 Favored 'General case' 0 CA--C 1.553 1.096 0 O-C-N 129.719 3.835 . . . . 5.38 110.657 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -102.75 141.52 22.67 Favored Pre-proline 0 N--CA 1.485 1.316 0 O-C-N 128.164 3.415 . . . . 25.8 105.357 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -69.54 144.87 56.62 Favored 'Trans proline' 0 C--O 1.28 2.623 0 C-N-CA 121.748 1.632 . . . . 8.81 110.468 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.19 34.62 80.67 Favored Glycine 0 C--N 1.294 -1.796 0 C-N-CA 130.159 3.743 . . . . 7.89 119.936 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.5 t -118.37 140.25 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 112.296 -1.952 . . . . 6.86 111.022 -177.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.04 127.87 34.17 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 127.58 3.05 . . . . 22.16 109.29 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -116.74 147.29 42.16 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 127.181 2.801 . . . . 5.95 108.588 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -105.08 126.3 51.93 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 102.064 -3.31 . . . . 9.94 102.064 175.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.8 mt -125.71 130.14 72.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 127.554 3.034 . . . . 6.03 106.298 -175.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -131.41 142.39 50.02 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 127.349 2.905 . . . . 3.77 112.016 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.46 136.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 127.451 2.969 . . . . 6.53 106.529 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.18 140.21 52.84 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 114.127 -2.844 . . . . 5.83 106.644 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 85' ' ' SER . . . -104.54 138.4 40.96 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 126.718 2.512 . . . . 7.13 105.127 177.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.42 125.52 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 N-CA-C 104.236 -2.505 . . . . 8.34 104.236 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.4 p -101.28 165.55 11.22 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 116.514 -1.708 . . . . 15.59 106.472 -178.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -93.22 28.43 9.72 Favored Glycine 0 N--CA 1.513 3.816 0 C-N-CA 114.045 -3.931 . . . . 29.12 108.36 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -115.62 5.62 14.37 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 126.058 1.681 . . . . 83.73 112.915 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.79 121.64 1.65 Allowed Glycine 0 N--CA 1.496 2.641 0 O-C-N 121.001 -1.062 . . . . 69.55 113.146 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -100.65 127.11 47.16 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 119.82 -1.988 . . . . 92.43 114.719 -177.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . 0.712 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 3.3 m 173.58 -171.78 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 101.124 -3.658 . . . . 85.4 101.124 -179.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . 0.712 ' HD2' ' HB3' ' A' ' 81' ' ' SER . 47.8 Cg_endo -62.6 -5.94 7.99 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 115.797 -2.335 . . . . 84.37 110.842 179.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.35 50.22 1.07 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.251 1.02 . . . . 79.39 113.742 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -126.12 -73.34 0.63 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.159 -1.052 . . . . 75.87 108.159 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 6.2 m -165.72 134.12 3.1 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.776 0.83 . . . . 66.18 110.468 178.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -52.14 131.34 41.27 Favored Pre-proline 0 N--CA 1.478 0.933 0 N-CA-C 113.632 0.975 . . . . 63.17 113.632 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.03 149.15 91.08 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 CA-C-O 116.787 -1.422 . . . . 13.04 112.921 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.252 35.1 pt -119.02 130.95 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 1 O-C-N 130.547 4.905 . . . . 15.38 103.888 178.865 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.0 m -135.16 159.45 41.49 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 117.375 -1.73 . . . . 18.04 114.054 -177.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 pt -152.12 156.32 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.388 1 O-C-N 130.587 4.929 . . . . 12.98 107.217 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -110.93 134.71 52.34 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 102.93 -2.989 . . . . 26.23 102.93 174.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -143.79 131.09 20.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 128.137 3.398 . . . . 5.66 108.88 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -101.88 125.88 48.66 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.231 -1.35 . . . . 7.94 109.442 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -69.83 141.39 53.28 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-O 113.621 -3.085 . . . . 4.18 107.54 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.19 165.33 18.55 Favored 'General case' 0 C--N 1.275 -2.662 2 O-C-N 133.015 6.447 . . . . 8.29 106.106 176.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--N 1.372 1.545 1 O-C-N 115.356 -4.59 . . . . 22.33 108.714 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 CA-C-O 121.939 0.876 . . . . 42.91 109.554 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -133.78 116.02 15.22 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 125.142 2.401 . . . . 48.5 112.446 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 tp -97.4 135.71 38.9 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-N 112.202 -2.272 . . . . 16.33 110.559 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -148.76 155.36 40.87 Favored 'General case' 0 N--CA 1.492 1.662 1 O-C-N 130.501 4.876 . . . . 40.49 110.808 179.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.8 t -90.13 111.71 23.68 Favored 'Isoleucine or valine' 0 C--O 1.27 2.154 0 N-CA-C 103.692 -2.706 . . . . 8.72 103.692 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 19' ' ' LEU . 14.5 m -92.61 -22.45 5.89 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 CA-C-N 122.453 2.388 . . . . 13.79 114.971 -178.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.9 143.99 25.63 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 126.1 2.125 . . . . 7.89 105.734 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.47 162.15 38.91 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 120.162 -1.586 . . . . 7.08 113.619 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -138.91 179.48 1.3 Allowed Pre-proline 0 C--O 1.261 1.685 0 N-CA-C 104.083 -2.562 . . . . 7.14 104.083 177.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -68.52 -17.45 43.48 Favored 'Trans proline' 0 C--O 1.189 -1.94 0 CA-C-N 121.053 1.412 . . . . 3.68 112.597 179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.5 p -125.06 0.48 7.9 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 112.902 -3.428 . . . . 3.4 115.427 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.4 p -158.74 157.35 31.55 Favored 'General case' 0 C--N 1.275 -2.665 1 O-C-N 130.046 4.591 . . . . 12.75 109.972 179.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' CD1' HG23 ' A' ' 20' ' ' ILE . 1.7 pp -147.94 165.6 30.22 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 113.148 -3.311 . . . . 12.96 110.226 178.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -118.79 122.79 43.23 Favored 'General case' 0 N--CA 1.522 3.139 1 O-C-N 136.021 8.325 . . . . 11.58 103.257 178.609 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' A' ' 18' ' ' LEU . 22.7 pt -107.76 150.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 119.493 -2.004 . . . . 4.87 108.617 178.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -138.93 143.81 38.79 Favored 'General case' 0 C--N 1.281 -2.376 0 O-C-N 126.348 2.28 . . . . 10.68 105.826 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.4 p90 -143.95 168.8 19.11 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.602 -0.726 . . . . 9.49 109.558 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -91.9 136.39 33.19 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-O 114.861 -2.495 . . . . 29.53 106.698 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.0 143.16 73.62 Favored Pre-proline 0 N--CA 1.512 2.629 1 O-C-N 131.899 5.749 . . . . 15.92 105.867 177.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -70.21 174.49 9.82 Favored 'Trans proline' 0 C--O 1.249 1.056 0 C-N-CA 122.84 2.36 . . . . 16.16 107.825 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.05 -19.21 63.3 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 112.757 -2.02 . . . . 29.94 113.851 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.01 158.24 4.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 125.774 1.921 . . . . 25.05 113.035 -176.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -70.43 133.16 46.6 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-O 115.718 -2.087 . . . . 27.77 106.18 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.0 t -111.78 137.6 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 127.97 3.294 . . . . 7.91 112.319 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -75.99 -53.75 7.9 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 108.879 -0.786 . . . . 20.82 108.879 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.85 167.65 27.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 125.436 1.71 . . . . 7.41 107.82 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -112.95 147.23 37.54 Favored 'General case' 0 C--O 1.27 2.133 0 O-C-N 127.611 3.069 . . . . 5.19 107.418 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -102.55 124.29 47.83 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-O 114.961 -2.447 . . . . 9.73 105.329 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 48' ' ' PHE . 50.6 mt -104.46 127.22 58.99 Favored 'Isoleucine or valine' 0 C--O 1.279 2.657 1 O-C-N 130.239 4.712 . . . . 18.32 103.962 176.124 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 ' HB ' ' CG1' ' A' ' 45' ' ' VAL . 62.9 p -120.35 146.78 45.81 Favored 'General case' 0 CA--C 1.578 2.03 0 CA-C-O 112.179 -3.772 . . . . 7.09 107.773 175.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -153.18 148.19 26.62 Favored 'General case' 0 N--CA 1.52 3.069 1 O-C-N 132.945 6.403 . . . . 14.3 108.173 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.43 161.02 31.01 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 114.039 -3.645 . . . . 6.73 108.841 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.53 123.88 24.07 Favored 'General case' 0 N--CA 1.535 3.805 1 O-C-N 137.058 8.152 . . . . 28.08 106.194 179.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -60.24 126.24 26.76 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 117.896 -1.05 . . . . 9.62 111.784 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.05 85.75 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-O 118.449 -1.195 . . . . 15.96 112.869 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.2 174.28 38.46 Favored Glycine 0 N--CA 1.479 1.524 1 CA-C-O 112.708 -4.384 . . . . 10.22 107.509 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.41 13.93 9.55 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 131.692 4.995 . . . . 16.24 112.028 -178.843 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -85.37 153.88 59.32 Favored Pre-proline 0 C--N 1.31 -1.152 0 O-C-N 125.172 1.545 . . . . 33.48 109.404 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.8 151.51 83.7 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 N-CA-C 106.379 -2.2 . . . . 24.41 106.379 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 35' ' ' THR . 73.2 t -70.0 154.01 8.35 Favored 'Isoleucine or valine' 0 C--O 1.264 1.822 0 N-CA-C 105.867 -1.901 . . . . 14.92 105.867 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -97.8 154.31 17.7 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 106.478 -1.675 . . . . 30.37 106.478 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -148.74 141.64 24.73 Favored 'General case' 0 C--O 1.261 1.685 0 CA-C-O 111.906 -3.902 . . . . 8.06 111.873 -178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.435 ' CE1' HD12 ' A' ' 34' ' ' ILE . 26.3 p90 -143.59 162.85 34.83 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 129.048 3.968 . . . . 7.96 106.159 176.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . 0.325 84.6 m -106.87 146.29 31.14 Favored 'General case' 0 C--O 1.282 2.787 0 O-C-N 125.732 1.895 . . . . 6.06 110.956 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -119.47 133.54 23.8 Favored Pre-proline 0 C--N 1.296 -1.718 0 C-N-CA 128.612 2.765 . . . . 7.27 107.556 170.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 144.85 51.47 Favored 'Trans proline' 0 C--O 1.264 1.801 0 O-C-N 125.27 2.195 . . . . 9.41 110.801 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 -12.36 35.26 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-O 115.618 -2.768 . . . . 9.77 116.291 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 p -85.77 -14.19 45.96 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 113.688 -3.053 . . . . 15.71 110.731 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -104.16 163.87 12.1 Favored 'General case' 0 C--N 1.307 -1.24 1 O-C-N 129.682 4.364 . . . . 33.92 111.126 -176.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.7 p -139.99 19.2 2.46 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-O 114.612 -2.613 . . . . 13.71 110.364 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.4 p -137.39 157.92 45.54 Favored 'General case' 0 C--N 1.28 -2.434 1 O-C-N 129.55 4.281 . . . . 8.89 106.43 176.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.73 148.26 12.22 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 116.37 -1.776 . . . . 3.94 109.044 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.2 m -95.05 136.09 35.79 Favored 'General case' 0 C--N 1.287 -2.145 1 O-C-N 129.765 4.416 . . . . 8.58 108.634 175.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -111.19 125.07 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 CA-C-O 113.659 -3.067 . . . . 6.21 106.735 172.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -123.24 -179.18 4.21 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 127.957 3.286 . . . . 6.48 107.482 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.9 70.25 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 113.784 -3.786 . . . . 8.35 112.41 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -87.9 166.2 14.71 Favored 'General case' 0 CA--C 1.553 1.096 0 O-C-N 129.719 3.835 . . . . 5.38 110.657 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -102.75 141.52 22.67 Favored Pre-proline 0 N--CA 1.485 1.316 0 O-C-N 128.164 3.415 . . . . 25.8 105.357 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -69.54 144.87 56.62 Favored 'Trans proline' 0 C--O 1.28 2.623 0 C-N-CA 121.748 1.632 . . . . 8.81 110.468 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.19 34.62 80.67 Favored Glycine 0 C--N 1.294 -1.796 0 C-N-CA 130.159 3.743 . . . . 7.89 119.936 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.5 t -118.37 140.25 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 112.296 -1.952 . . . . 6.86 111.022 -177.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.04 127.87 34.17 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 127.58 3.05 . . . . 22.16 109.29 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -116.74 147.29 42.16 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 127.181 2.801 . . . . 5.95 108.588 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -105.08 126.3 51.93 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 102.064 -3.31 . . . . 9.94 102.064 175.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.8 mt -125.71 130.14 72.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 127.554 3.034 . . . . 6.03 106.298 -175.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 m -131.41 142.39 50.02 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 127.349 2.905 . . . . 3.77 112.016 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.46 136.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 127.451 2.969 . . . . 6.53 106.529 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.18 140.21 52.84 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 114.127 -2.844 . . . . 5.83 106.644 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 85' ' ' SER . . . -104.54 138.4 40.96 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 126.718 2.512 . . . . 7.13 105.127 177.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.42 125.52 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 N-CA-C 104.236 -2.505 . . . . 8.34 104.236 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.4 p -101.28 165.55 11.22 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 116.514 -1.708 . . . . 15.59 106.472 -178.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -93.22 28.43 9.72 Favored Glycine 0 N--CA 1.513 3.816 0 C-N-CA 114.045 -3.931 . . . . 29.12 108.36 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -115.62 5.62 14.37 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 126.058 1.681 . . . . 83.73 112.915 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.79 121.64 1.65 Allowed Glycine 0 N--CA 1.496 2.641 0 O-C-N 121.001 -1.062 . . . . 69.55 113.146 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -100.65 127.11 47.16 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 119.82 -1.988 . . . . 92.43 114.719 -177.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . 0.712 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 3.3 m 173.58 -171.78 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 101.124 -3.658 . . . . 85.4 101.124 -179.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.712 ' HD2' ' HB3' ' A' ' 81' ' ' SER . 47.8 Cg_endo -62.6 -5.94 7.99 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 115.797 -2.335 . . . . 84.37 110.842 179.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.35 50.22 1.07 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.251 1.02 . . . . 79.39 113.742 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.6 m -126.12 -73.34 0.63 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.159 -1.052 . . . . 75.87 108.159 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 6.2 m -165.72 134.12 3.1 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.776 0.83 . . . . 66.18 110.468 178.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -52.14 131.34 41.27 Favored Pre-proline 0 N--CA 1.478 0.933 0 N-CA-C 113.632 0.975 . . . . 63.17 113.632 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -64.03 149.15 91.08 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 CA-C-O 116.787 -1.422 . . . . 13.04 112.921 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.252 35.1 pt -119.02 130.95 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 1 O-C-N 130.547 4.905 . . . . 15.38 103.888 178.865 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.0 m -135.16 159.45 41.49 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 117.375 -1.73 . . . . 18.04 114.054 -177.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 pt -152.12 156.32 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.388 1 O-C-N 130.587 4.929 . . . . 12.98 107.217 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -110.93 134.71 52.34 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 102.93 -2.989 . . . . 26.23 102.93 174.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -143.79 131.09 20.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 128.137 3.398 . . . . 5.66 108.88 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -101.88 125.88 48.66 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.231 -1.35 . . . . 7.94 109.442 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -69.83 141.39 53.28 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-O 113.621 -3.085 . . . . 4.18 107.54 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.19 165.33 18.55 Favored 'General case' 0 C--N 1.275 -2.662 2 O-C-N 133.015 6.447 . . . . 8.29 106.106 176.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--N 1.372 1.545 1 O-C-N 115.356 -4.59 . . . . 22.33 108.714 175.555 . . . . . . . . 1 1 . 1 stop_ save_