data_1cty_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 1cty _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 ' -5' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 104.896 -2.261 . . . . 50.62 104.896 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -147.71 40.54 1.0 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 125.61 2.624 . . . . 50.33 111.653 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -154.1 123.4 6.51 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 109.508 -3.497 . . . . 48.55 106.344 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 126.56 52.24 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 128.444 3.59 . . . . 46.48 107.019 177.164 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -62.12 142.72 57.44 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 127.325 2.89 . . . . 38.1 110.05 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -123.89 -144.08 6.41 Favored Glycine 0 C--O 1.251 1.163 0 CA-C-O 126.206 3.115 . . . . 32.81 115.834 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -85.55 117.11 24.25 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 111.934 -2.133 . . . . 25.3 108.083 179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.96 94.38 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 105.313 -2.106 . . . . 20.14 105.313 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 15.9 mttm -54.38 -65.03 0.65 Allowed 'General case' 0 C--O 1.263 1.791 0 O-C-N 128.413 3.57 . . . . 19.11 109.725 -178.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -31.61 64.02 Favored 'General case' 0 C--N 1.322 -0.607 1 O-C-N 129.992 4.558 . . . . 24.71 112.223 -176.158 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.81 -45.25 93.2 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 128.414 3.571 . . . . 15.47 106.758 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 4' ' ' LYS . . . -59.04 -42.01 89.23 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 129.579 3.752 . . . . 18.0 109.858 179.368 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -24.68 37.31 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 126.846 2.591 . . . . 19.5 112.432 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' ARG 0.305 6.9 tp -72.52 -36.76 68.42 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 123.866 1.793 . . . . 22.62 107.529 178.972 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . 0.613 ' O ' ' N ' ' A' ' 14' ' ' CYS . 70.0 t80 -62.99 -51.22 67.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 113.61 -3.091 . . . . 17.35 107.544 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -59.26 -57.21 14.01 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 133.319 6.637 . . . . 19.6 111.935 -179.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -58.25 -33.53 69.48 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 113.084 -3.341 . . . . 12.47 107.124 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 107' ' ' HOH . 63.7 mtp180 -111.42 -21.11 11.98 Favored 'General case' 0 C--O 1.292 3.323 2 N-CA-C 125.523 5.379 . . . . 29.57 125.523 -176.894 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . 0.613 ' N ' ' O ' ' A' ' 10' ' ' PHE . 1.6 m -128.49 8.15 5.89 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-N 125.429 3.741 . . . . 8.73 111.48 -177.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.283 59.4 tp -82.67 -32.92 27.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 116.332 -2.147 . . . . 4.83 113.889 -174.889 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -49.71 -28.15 5.7 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 128.359 3.537 . . . . 7.18 106.822 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.2 m -136.15 -1.19 2.41 Favored 'General case' 0 C--N 1.394 2.525 1 C-N-CA 110.445 -4.502 . . . . 9.6 115.852 -177.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 30' ' ' PRO 0.251 62.1 m-70 -137.6 158.69 43.85 Favored 'General case' 0 N--CA 1.483 1.223 1 O-C-N 129.143 4.027 . . . . 6.22 111.207 -179.152 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . 0.465 ' CB ' ' OE1' ' A' ' 21' ' ' GLU . 12.2 p -131.42 145.16 51.68 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 128.909 3.881 . . . . 4.1 106.18 179.073 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.267 4.1 m -105.43 -27.68 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 127.957 3.286 . . . . 8.26 116.933 -176.276 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CB ' ' A' ' 19' ' ' THR . 1.4 mp0 -52.37 134.33 34.28 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 126.347 1.859 . . . . 21.55 113.763 -178.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 123.81 22.11 Favored 'General case' 1 N--CA 1.541 4.102 2 CA-C-O 110.752 -4.452 . . . . 17.33 99.817 177.403 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.44 -1.05 68.88 Favored Glycine 0 N--CA 1.495 2.593 0 CA-C-N 123.526 2.875 . . . . 10.76 107.538 -176.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.25 141.84 26.46 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 105.695 -2.962 . . . . 13.21 105.695 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.271 49.5 Cg_endo -86.75 157.79 8.96 Favored 'Trans proline' 0 N--CA 1.425 -2.511 0 C-N-CA 124.17 3.247 . . . . 11.94 114.782 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' ND1' ' CA ' ' A' ' 30' ' ' PRO . 83.9 m-70 -78.73 156.03 29.09 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 123.966 1.841 . . . . 15.55 106.464 173.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -134.58 -131.15 0.16 Allowed 'General case' 0 C--O 1.267 2.005 0 N-CA-C 100.466 -3.901 . . . . 14.13 100.466 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.29 -61.24 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.178 0 CA-C-O 115.603 -2.141 . . . . 8.88 107.617 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.42 176.53 46.68 Favored Glycine 1 N--CA 1.55 6.258 2 N-CA-C 99.419 -5.472 . . . . 8.04 99.419 177.056 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' O ' ' ND1' ' A' ' 18' ' ' HIS 0.292 7.8 Cg_exo -88.05 172.67 5.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 1 C-N-CA 127.176 5.251 . . . . 11.21 108.754 -179.992 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -80.15 123.99 28.38 Favored 'General case' 0 C--N 1.293 -1.852 1 C-N-CA 132.015 4.126 . . . . 12.55 101.543 176.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 mt -88.63 1.52 54.87 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 108.944 -3.753 . . . . 13.73 113.145 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -54.64 120.33 6.56 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 123.084 1.421 . . . . 22.89 109.422 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 64.53 46.95 88.75 Favored Glycine 0 C--O 1.249 1.067 0 C-N-CA 125.779 1.657 . . . . 16.97 116.94 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' ARG . 8.7 tp -68.53 -49.2 67.65 Favored 'Isoleucine or valine' 0 C--O 1.265 1.869 0 C-N-CA 126.694 1.997 . . . . 15.26 111.945 179.247 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CA ' ' O ' ' A' ' 59' ' ' TRP 0.27 90.7 m-85 -56.22 145.95 24.97 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 126.628 2.455 . . . . 21.53 110.496 -177.419 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.95 5.01 44.73 Favored Glycine 0 C--O 1.249 1.045 0 CA-C-N 109.6 -3.454 . . . . 22.63 110.256 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -102.7 144.49 31.0 Favored 'General case' 0 CA--C 1.549 0.935 1 O-C-N 132.034 5.196 . . . . 29.09 110.213 178.533 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -80.76 167.47 19.93 Favored 'General case' 0 C--O 1.271 2.224 0 CA-C-N 109.14 -3.664 . . . . 22.19 107.671 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 82.9 p -81.15 161.63 23.98 Favored 'General case' 0 C--O 1.254 1.323 0 C-N-CA 117.532 -1.667 . . . . 17.74 110.956 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' CA ' ' ND2' ' A' ' 52' ' ' ASN . . . 57.69 37.88 85.48 Favored Glycine 0 C--O 1.254 1.353 0 C-N-CA 127.009 2.242 . . . . 18.16 114.189 179.635 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.72 1.36 12.78 Favored 'General case' 0 C--O 1.258 1.551 0 N-CA-C 118.37 2.73 . . . . 24.89 118.37 -173.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.72 125.24 30.37 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 103.269 -2.863 . . . . 26.06 103.269 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -82.07 158.2 23.83 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.871 -1.059 . . . . 31.63 111.4 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.76 -6.6 80.23 Favored Glycine 1 N--CA 1.527 4.7 2 C-N-CA 112.049 -4.881 . . . . 21.6 101.457 -178.586 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.273 12.2 t80 -121.11 130.04 53.57 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 125.738 2.685 . . . . 17.53 114.67 178.364 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.97 75.89 4.76 Favored 'General case' 0 C--N 1.287 -2.141 1 C-N-CA 133.491 4.717 . . . . 15.87 116.349 -178.518 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -76.33 165.95 24.13 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 117.49 -3.256 . . . . 15.96 109.899 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.7 p -68.58 175.24 3.58 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 103.976 -2.602 . . . . 16.87 103.976 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -78.44 -28.62 46.72 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 104.589 -2.374 . . . . 28.52 104.589 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.73 75.02 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.057 2.543 . . . . 14.8 114.176 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' ND2' ' CA ' ' A' ' 41' ' ' GLY . 2.8 t30 -66.28 -46.81 75.74 Favored 'General case' 0 N--CA 1.42 -1.947 0 CA-C-N 108.607 -3.906 . . . . 24.73 111.353 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mm -59.73 -49.34 84.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.916 0 O-C-N 127.13 2.768 . . . . 25.52 115.255 -177.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -47.42 84.12 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 110.392 -3.095 . . . . 15.75 110.619 -178.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.53 -48.52 1.42 Allowed 'General case' 0 CA--C 1.56 1.329 0 O-C-N 126.072 2.108 . . . . 19.21 110.68 179.54 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.298 3.1 t-20 44.67 48.13 8.73 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 127.61 3.069 . . . . 22.83 115.991 -178.336 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.59 144.41 13.34 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 CA-C-N 112.102 -2.317 . . . . 21.61 109.967 179.863 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' O ' ' ND2' ' A' ' 63' ' ' ASN 0.468 0.5 OUTLIER -98.58 126.49 44.17 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 102.854 -3.017 . . . . 22.87 102.854 175.957 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 38' ' ' ARG 0.252 39.3 m95 -81.43 94.39 6.81 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 117.403 -1.719 . . . . 22.87 113.887 -175.479 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -117.58 149.9 39.89 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 112.593 -2.094 . . . . 22.61 106.203 179.002 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -44.35 -37.01 3.08 Favored 'General case' 0 C--O 1.257 1.468 1 O-C-N 129.457 4.223 . . . . 21.96 115.218 -177.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.6 m120 -77.11 -37.69 53.71 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.517 2.327 . . . . 25.58 114.334 -178.997 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 58' ' ' LEU 0.335 0.8 OUTLIER -65.02 -51.43 61.67 Favored 'General case' 0 N--CA 1.503 2.209 1 CA-C-O 131.759 5.552 . . . . 22.28 109.371 175.534 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . 0.405 ' CE ' ' CE3' ' A' ' 59' ' ' TRP . 21.8 tpp -49.56 -30.35 8.43 Favored 'General case' 0 C--O 1.262 1.74 1 CA-C-N 106.857 -4.701 . . . . 19.67 110.193 179.179 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -42.46 38.07 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 124.546 2.117 . . . . 9.42 112.532 -177.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -61.84 -60.97 2.85 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 109.991 -3.277 . . . . 13.82 106.008 177.934 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' GLU . 48.8 t80 -51.58 -50.84 59.36 Favored 'General case' 0 CA--C 1.57 1.749 0 O-C-N 119.322 -2.111 . . . . 7.89 107.183 177.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.316 2.1 mt -52.18 -36.74 52.71 Favored 'General case' 0 C--O 1.275 2.411 0 O-C-N 126.68 2.488 . . . . 13.03 109.844 -178.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -49.41 -54.7 16.1 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 113.991 1.108 . . . . 15.87 113.991 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -163.18 102.12 1.0 Allowed Pre-proline 0 C--N 1.31 -1.135 0 O-C-N 126.815 2.572 . . . . 20.09 107.054 -178.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 75' ' ' ILE . 71.3 Cg_exo -53.18 -59.62 0.96 Allowed 'Trans proline' 0 C--O 1.298 3.514 0 C-N-CA 125.244 3.963 . . . . 12.44 117.262 -178.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.192 0 CA-C-O 126.797 3.189 . . . . 23.85 113.607 179.931 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -66.96 -41.7 86.46 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 103.994 -2.595 . . . . 17.59 103.994 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -69.14 -49.64 55.12 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-O 123.422 1.582 . . . . 15.04 110.99 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 71' ' ' PRO 0.261 1.2 mt -131.63 91.73 33.17 Favored Pre-proline 0 C--O 1.251 1.143 0 CA-C-N 113.521 -1.672 . . . . 15.87 111.376 176.169 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -69.03 131.18 21.7 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 N-CA-C 104.254 -3.018 . . . . 13.05 104.254 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.85 -35.19 4.05 Favored Glycine 0 C--O 1.267 2.209 0 CA-C-O 117.457 -1.746 . . . . 8.4 112.58 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -50.34 134.88 22.66 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 125.973 1.631 . . . . 5.55 111.426 178.431 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -73.41 -18.4 61.15 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 115.268 -2.301 . . . . 7.88 110.475 -179.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 47.0 ttp -55.96 124.81 18.95 Favored 'General case' 0 C--O 1.22 -0.461 1 O-C-N 129.325 4.141 . . . . 7.36 109.58 -177.521 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . 0.637 ' N ' ' O ' ' A' ' 122' ' ' HOH . . . -95.03 78.37 3.56 Favored 'General case' 0 N--CA 1.484 1.226 1 O-C-N 130.789 5.056 . . . . 11.2 110.983 179.055 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CZ ' ' NH2' ' A' ' 13' ' ' ARG 0.349 70.7 t80 -149.65 119.57 7.14 Favored 'General case' 0 C--N 1.388 2.258 1 C-N-CA 111.517 -4.073 . . . . 16.37 112.567 177.324 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.98 45.94 Favored Glycine 0 N--CA 1.415 -2.714 0 C-N-CA 128.289 2.852 . . . . 13.08 114.411 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.81 152.99 14.27 Favored Glycine 0 N--CA 1.483 1.774 0 CA-C-O 123.059 1.366 . . . . 15.95 113.251 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 mt -87.82 97.93 11.19 Favored 'General case' 0 C--O 1.266 1.934 0 C-N-CA 128.837 2.855 . . . . 15.85 111.738 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -40.88 71.6 Favored 'General case' 0 C--O 1.271 2.211 0 N-CA-C 116.559 2.059 . . . . 23.69 116.559 -179.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.88 134.63 33.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 127.327 3.442 . . . . 21.03 111.717 -177.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -67.18 -38.07 84.79 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 112.676 -2.056 . . . . 17.37 114.01 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -55.27 -38.0 68.01 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-O 115.04 -2.41 . . . . 27.19 107.264 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.22 -48.82 18.96 Favored 'General case' 0 C--N 1.299 -1.614 1 O-C-N 132.445 6.091 . . . . 18.45 110.546 -176.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -50.04 66.96 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-N 110.387 -3.097 . . . . 18.26 110.71 176.645 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -64.28 -47.36 79.83 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 130.089 3.356 . . . . 22.6 109.922 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -55.58 -60.77 2.96 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 124.536 1.147 . . . . 12.82 110.572 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 97' ' ' TYR . 21.6 tp -53.72 -51.14 64.27 Favored 'General case' 0 C--O 1.266 1.945 0 CA-C-O 116.53 -1.7 . . . . 7.32 110.921 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 51.2 mt -52.78 -28.85 13.75 Favored 'Isoleucine or valine' 0 C--O 1.269 2.107 0 C-N-CA 115.872 -2.331 . . . . 12.28 111.341 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 m -65.24 -42.36 93.41 Favored 'General case' 0 N--CA 1.502 2.153 1 O-C-N 129.874 4.484 . . . . 13.51 106.238 179.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' LEU . 84.7 t80 -63.13 -50.98 68.33 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 114.106 -1.406 . . . . 12.89 112.8 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 102' ' ' THR . 2.1 mt -58.61 -45.54 88.95 Favored 'General case' 0 N--CA 1.488 1.452 1 O-C-N 129.436 4.21 . . . . 15.39 112.114 179.775 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -60.72 2.85 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 127.381 2.926 . . . . 20.93 108.757 178.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.27 26.1 mmtt -60.54 -66.27 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 112.973 -3.491 . . . . 21.32 111.289 179.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.282 . . -53.12 -29.38 30.64 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 113.452 -1.704 . . . . 17.77 114.161 -173.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 98' ' ' LEU 0.385 23.9 p -90.02 10.79 22.75 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 113.466 -3.293 . . . . 19.13 111.441 -177.438 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 C--O 1.266 1.943 0 CA-C-O 113.823 -2.989 . . . . 27.19 112.544 -179.997 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . 0.511 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . 0.637 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.423 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 104.896 -2.261 . . . . 50.62 104.896 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -147.71 40.54 1.0 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 125.61 2.624 . . . . 50.33 111.653 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . 0.61 ' HE1' ' HA ' ' A' ' 92' ' ' ASN . 29.7 t80 -154.1 123.4 6.51 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 109.508 -3.497 . . . . 48.55 106.344 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 126.56 52.24 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 128.444 3.59 . . . . 46.48 107.019 177.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -62.12 142.72 57.44 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 127.325 2.89 . . . . 38.1 110.05 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -123.89 -144.08 6.41 Favored Glycine 0 C--O 1.251 1.163 0 CA-C-O 126.206 3.115 . . . . 32.81 115.834 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -85.55 117.11 24.25 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 111.934 -2.133 . . . . 25.3 108.083 179.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.96 94.38 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 105.313 -2.106 . . . . 20.14 105.313 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 15.9 mttm -54.38 -65.03 0.65 Allowed 'General case' 0 C--O 1.263 1.791 0 O-C-N 128.413 3.57 . . . . 19.11 109.725 -178.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -56.39 -31.61 64.02 Favored 'General case' 0 C--N 1.322 -0.607 1 O-C-N 129.992 4.558 . . . . 24.71 112.223 -176.158 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.81 -45.25 93.2 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 128.414 3.571 . . . . 15.47 106.758 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . -59.04 -42.01 89.23 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 129.579 3.752 . . . . 18.0 109.858 179.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -24.68 37.31 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 126.846 2.591 . . . . 19.5 112.432 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ARG 0.305 6.9 tp -72.52 -36.76 68.42 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 123.866 1.793 . . . . 22.62 107.529 178.972 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 14' ' ' CYS . 70.0 t80 -62.99 -51.22 67.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 113.61 -3.091 . . . . 17.35 107.544 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -59.26 -57.21 14.01 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 133.319 6.637 . . . . 19.6 111.935 -179.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -58.25 -33.53 69.48 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 113.084 -3.341 . . . . 12.47 107.124 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 107' ' ' HOH . 63.7 mtp180 -111.42 -21.11 11.98 Favored 'General case' 0 C--O 1.292 3.323 2 N-CA-C 125.523 5.379 . . . . 29.57 125.523 -176.894 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.6 m -128.49 8.15 5.89 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-N 125.429 3.741 . . . . 8.73 111.48 -177.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.283 59.4 tp -82.67 -32.92 27.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 116.332 -2.147 . . . . 4.83 113.889 -174.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -49.71 -28.15 5.7 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 128.359 3.537 . . . . 7.18 106.822 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.2 m -136.15 -1.19 2.41 Favored 'General case' 0 C--N 1.394 2.525 1 C-N-CA 110.445 -4.502 . . . . 9.6 115.852 -177.718 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 30' ' ' PRO 0.251 62.1 m-70 -137.6 158.69 43.85 Favored 'General case' 0 N--CA 1.483 1.223 1 O-C-N 129.143 4.027 . . . . 6.22 111.207 -179.152 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.812 ' HB ' ' OE1' ' A' ' 21' ' ' GLU . 12.2 p -131.42 145.16 51.68 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 128.909 3.881 . . . . 4.1 106.18 179.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.267 4.1 m -105.43 -27.68 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 127.957 3.286 . . . . 8.26 116.933 -176.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.812 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 1.4 mp0 -52.37 134.33 34.28 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 126.347 1.859 . . . . 21.55 113.763 -178.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.14 123.81 22.11 Favored 'General case' 1 N--CA 1.541 4.102 2 CA-C-O 110.752 -4.452 . . . . 17.33 99.817 177.403 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.44 -1.05 68.88 Favored Glycine 0 N--CA 1.495 2.593 0 CA-C-N 123.526 2.875 . . . . 10.76 107.538 -176.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.25 141.84 26.46 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 105.695 -2.962 . . . . 13.21 105.695 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.271 49.5 Cg_endo -86.75 157.79 8.96 Favored 'Trans proline' 0 N--CA 1.425 -2.511 0 C-N-CA 124.17 3.247 . . . . 11.94 114.782 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.586 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 83.9 m-70 -78.73 156.03 29.09 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 123.966 1.841 . . . . 15.55 106.464 173.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HE2' HG23 ' A' ' 19' ' ' THR . 35.2 mtmt -134.58 -131.15 0.16 Allowed 'General case' 0 C--O 1.267 2.005 0 N-CA-C 100.466 -3.901 . . . . 14.13 100.466 176.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.29 -61.24 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.178 0 CA-C-O 115.603 -2.141 . . . . 8.88 107.617 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.42 176.53 46.68 Favored Glycine 1 N--CA 1.55 6.258 2 N-CA-C 99.419 -5.472 . . . . 8.04 99.419 177.056 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' ND1' ' A' ' 26' ' ' HIS 0.292 7.8 Cg_exo -88.05 172.67 5.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 1 C-N-CA 127.176 5.251 . . . . 11.21 108.754 -179.992 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -80.15 123.99 28.38 Favored 'General case' 0 C--N 1.293 -1.852 1 C-N-CA 132.015 4.126 . . . . 12.55 101.543 176.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 mt -88.63 1.52 54.87 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 108.944 -3.753 . . . . 13.73 113.145 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 23.5 t60 -54.64 120.33 6.56 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 123.084 1.421 . . . . 22.89 109.422 177.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' A' ' 196' ' ' HOH . . . 64.53 46.95 88.75 Favored Glycine 0 C--O 1.249 1.067 0 C-N-CA 125.779 1.657 . . . . 16.97 116.94 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.511 HD12 ' HE ' ' A' ' 38' ' ' ARG . 8.7 tp -68.53 -49.2 67.65 Favored 'Isoleucine or valine' 0 C--O 1.265 1.869 0 C-N-CA 126.694 1.997 . . . . 15.26 111.945 179.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.791 ' HA ' ' O ' ' A' ' 59' ' ' TRP 0.27 90.7 m-85 -56.22 145.95 24.97 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 126.628 2.455 . . . . 21.53 110.496 -177.419 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.95 5.01 44.73 Favored Glycine 0 C--O 1.249 1.045 0 CA-C-N 109.6 -3.454 . . . . 22.63 110.256 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.511 ' HE ' HD12 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -102.7 144.49 31.0 Favored 'General case' 0 CA--C 1.549 0.935 1 O-C-N 132.034 5.196 . . . . 29.09 110.213 178.533 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.564 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 72.9 m80 -80.76 167.47 19.93 Favored 'General case' 0 C--O 1.271 2.224 0 CA-C-N 109.14 -3.664 . . . . 22.19 107.671 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' O2A' ' A' ' 104' ' ' HEM . 82.9 p -81.15 161.63 23.98 Favored 'General case' 0 C--O 1.254 1.323 0 C-N-CA 117.532 -1.667 . . . . 17.74 110.956 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . 0.585 ' HA3' HD13 ' A' ' 53' ' ' ILE . . . 57.69 37.88 85.48 Favored Glycine 0 C--O 1.254 1.353 0 C-N-CA 127.009 2.242 . . . . 18.16 114.189 179.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.72 1.36 12.78 Favored 'General case' 0 C--O 1.258 1.551 0 N-CA-C 118.37 2.73 . . . . 24.89 118.37 -173.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.72 125.24 30.37 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 103.269 -2.863 . . . . 26.06 103.269 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 46' ' ' TYR . 9.9 pt-20 -82.07 158.2 23.83 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.871 -1.059 . . . . 31.63 111.4 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.76 -6.6 80.23 Favored Glycine 1 N--CA 1.527 4.7 2 C-N-CA 112.049 -4.881 . . . . 21.6 101.457 -178.586 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' GLU 0.273 12.2 t80 -121.11 130.04 53.57 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 125.738 2.685 . . . . 17.53 114.67 178.364 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.97 75.89 4.76 Favored 'General case' 0 C--N 1.287 -2.141 1 C-N-CA 133.491 4.717 . . . . 15.87 116.349 -178.518 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.424 ' HA ' ' O1D' ' A' ' 104' ' ' HEM . 94.6 m-85 -76.33 165.95 24.13 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 117.49 -3.256 . . . . 15.96 109.899 178.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.569 HG23 ' HD2' ' A' ' 79' ' ' LYS . 70.7 p -68.58 175.24 3.58 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 103.976 -2.602 . . . . 16.87 103.976 176.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -78.44 -28.62 46.72 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 104.589 -2.374 . . . . 28.52 104.589 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . . . -55.26 -47.73 75.02 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.057 2.543 . . . . 14.8 114.176 -178.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -66.28 -46.81 75.74 Favored 'General case' 0 N--CA 1.42 -1.947 0 CA-C-N 108.607 -3.906 . . . . 24.73 111.353 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.585 HD13 ' HA3' ' A' ' 41' ' ' GLY . 4.0 mm -59.73 -49.34 84.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.916 0 O-C-N 127.13 2.768 . . . . 25.52 115.255 -177.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -47.42 84.12 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 110.392 -3.095 . . . . 15.75 110.619 -178.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.715 ' CD ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -38.53 -48.52 1.42 Allowed 'General case' 0 CA--C 1.56 1.329 0 O-C-N 126.072 2.108 . . . . 19.21 110.68 179.54 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.298 64.5 t30 44.67 48.13 8.73 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 127.61 3.069 . . . . 22.83 115.991 -178.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.715 HG22 ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -71.59 144.41 13.34 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 CA-C-N 112.102 -2.317 . . . . 21.61 109.967 179.863 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' O ' ' ND2' ' A' ' 63' ' ' ASN 0.468 0.5 OUTLIER -98.58 126.49 44.17 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 102.854 -3.017 . . . . 22.87 102.854 175.957 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . 0.791 ' O ' ' HA ' ' A' ' 36' ' ' PHE 0.252 39.3 m95 -81.43 94.39 6.81 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 117.403 -1.719 . . . . 22.87 113.887 -175.479 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -117.58 149.9 39.89 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 112.593 -2.094 . . . . 22.61 106.203 179.002 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 2.4 pt-20 -44.35 -37.01 3.08 Favored 'General case' 0 C--O 1.257 1.468 1 O-C-N 129.457 4.223 . . . . 21.96 115.218 -177.3 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.6 m120 -77.11 -37.69 53.71 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.517 2.327 . . . . 25.58 114.334 -178.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 58' ' ' LEU 0.335 0.8 OUTLIER -65.02 -51.43 61.67 Favored 'General case' 0 N--CA 1.503 2.209 1 CA-C-O 131.759 5.552 . . . . 22.28 109.371 175.534 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . 0.699 ' HG3' HD12 ' A' ' 68' ' ' LEU . 21.8 tpp -49.56 -30.35 8.43 Favored 'General case' 0 C--O 1.262 1.74 1 CA-C-N 106.857 -4.701 . . . . 19.67 110.193 179.179 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . 0.455 ' OG ' ' HD2' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -77.09 -42.46 38.07 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 124.546 2.117 . . . . 9.42 112.532 -177.585 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -61.84 -60.97 2.85 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 109.991 -3.277 . . . . 13.82 106.008 177.934 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' GLU . 48.8 t80 -51.58 -50.84 59.36 Favored 'General case' 0 CA--C 1.57 1.749 0 O-C-N 119.322 -2.111 . . . . 7.89 107.183 177.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.699 HD12 ' HG3' ' A' ' 64' ' ' MET 0.316 2.1 mt -52.18 -36.74 52.71 Favored 'General case' 0 C--O 1.275 2.411 0 O-C-N 126.68 2.488 . . . . 13.03 109.844 -178.514 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -49.41 -54.7 16.1 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 113.991 1.108 . . . . 15.87 113.991 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -163.18 102.12 1.0 Allowed Pre-proline 0 C--N 1.31 -1.135 0 O-C-N 126.815 2.572 . . . . 20.09 107.054 -178.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HD2' ' O ' ' A' ' 172' ' ' HOH . 71.3 Cg_exo -53.18 -59.62 0.96 Allowed 'Trans proline' 0 C--O 1.298 3.514 0 C-N-CA 125.244 3.963 . . . . 12.44 117.262 -178.271 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.192 0 CA-C-O 126.797 3.189 . . . . 23.85 113.607 179.931 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -66.96 -41.7 86.46 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 103.994 -2.595 . . . . 17.59 103.994 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 34.0 t80 -69.14 -49.64 55.12 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-O 123.422 1.582 . . . . 15.04 110.99 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . 0.954 ' O ' HG22 ' A' ' 78' ' ' THR 0.261 1.2 mt -131.63 91.73 33.17 Favored Pre-proline 0 C--O 1.251 1.143 0 CA-C-N 113.521 -1.672 . . . . 15.87 111.376 176.169 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -69.03 131.18 21.7 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 N-CA-C 104.254 -3.018 . . . . 13.05 104.254 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA3' ' HB2' ' A' ' 51' ' ' ALA . . . 118.85 -35.19 4.05 Favored Glycine 0 C--O 1.267 2.209 0 CA-C-O 117.457 -1.746 . . . . 8.4 112.58 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -50.34 134.88 22.66 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 125.973 1.631 . . . . 5.55 111.426 178.431 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.832 ' HG2' HBD2 ' A' ' 104' ' ' HEM . 1.2 ptmt -73.41 -18.4 61.15 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 115.268 -2.301 . . . . 7.88 110.475 -179.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . 0.687 ' HG3' ' C4C' ' A' ' 104' ' ' HEM . 47.0 ttp -55.96 124.81 18.95 Favored 'General case' 0 C--O 1.22 -0.461 1 O-C-N 129.325 4.141 . . . . 7.36 109.58 -177.521 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.03 78.37 3.56 Favored 'General case' 0 N--CA 1.484 1.226 1 O-C-N 130.789 5.056 . . . . 11.2 110.983 179.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CE1' ' HA2' ' A' ' 84' ' ' GLY 0.349 70.7 t80 -149.65 119.57 7.14 Favored 'General case' 0 C--N 1.388 2.258 1 C-N-CA 111.517 -4.073 . . . . 16.37 112.567 177.324 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.98 45.94 Favored Glycine 0 N--CA 1.415 -2.714 0 C-N-CA 128.289 2.852 . . . . 13.08 114.411 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 109.81 152.99 14.27 Favored Glycine 0 N--CA 1.483 1.774 0 CA-C-O 123.059 1.366 . . . . 15.95 113.251 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 90' ' ' ASP . 2.8 mt -87.82 97.93 11.19 Favored 'General case' 0 C--O 1.266 1.934 0 C-N-CA 128.837 2.855 . . . . 15.85 111.738 178.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -55.29 -40.88 71.6 Favored 'General case' 0 C--O 1.271 2.211 0 N-CA-C 116.559 2.059 . . . . 23.69 116.559 -179.53 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -86.88 134.63 33.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 127.327 3.442 . . . . 21.03 111.717 -177.53 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . 8.2 tt0 -67.18 -38.07 84.79 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 112.676 -2.056 . . . . 17.37 114.01 -179.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -55.27 -38.0 68.01 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-O 115.04 -2.41 . . . . 27.19 107.264 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . 0.801 ' HB3' HD22 ' A' ' 85' ' ' LEU . 15.2 m-20 -76.22 -48.82 18.96 Favored 'General case' 0 C--N 1.299 -1.614 1 O-C-N 132.445 6.091 . . . . 18.45 110.546 -176.095 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.529 ' HB2' ' HA ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -53.78 -50.04 66.96 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-N 110.387 -3.097 . . . . 18.26 110.71 176.645 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . 0.61 ' HA ' ' HE1' ' A' ' -3' ' ' PHE . 8.5 m-20 -64.28 -47.36 79.83 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 130.089 3.356 . . . . 22.6 109.922 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 72.6 m-20 -55.58 -60.77 2.96 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 124.536 1.147 . . . . 12.82 110.572 177.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.954 ' HG ' HD11 ' A' ' 98' ' ' LEU . 21.6 tp -53.72 -51.14 64.27 Favored 'General case' 0 C--O 1.266 1.945 0 CA-C-O 116.53 -1.7 . . . . 7.32 110.921 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HB ' ' CE1' ' A' ' -3' ' ' PHE . 51.2 mt -52.78 -28.85 13.75 Favored 'Isoleucine or valine' 0 C--O 1.269 2.107 0 C-N-CA 115.872 -2.331 . . . . 12.28 111.341 177.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 2.9 m -65.24 -42.36 93.41 Favored 'General case' 0 N--CA 1.502 2.153 1 O-C-N 129.874 4.484 . . . . 13.51 106.238 179.624 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' LEU . 84.7 t80 -63.13 -50.98 68.33 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 114.106 -1.406 . . . . 12.89 112.8 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . 0.954 HD11 ' HG ' ' A' ' 94' ' ' LEU . 2.1 mt -58.61 -45.54 88.95 Favored 'General case' 0 N--CA 1.488 1.452 1 O-C-N 129.436 4.21 . . . . 15.39 112.114 179.775 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' NZ ' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -51.86 -60.72 2.85 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 127.381 2.926 . . . . 20.93 108.757 178.332 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' HG2' ' NZ ' ' A' ' 99' ' ' LYS 0.27 26.1 mmtt -60.54 -66.27 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 112.973 -3.491 . . . . 21.32 111.289 179.872 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.282 . . -53.12 -29.38 30.64 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 113.452 -1.704 . . . . 17.77 114.161 -173.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' LEU 0.385 23.9 p -90.02 10.79 22.75 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 113.466 -3.293 . . . . 19.13 111.441 -177.438 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 C--O 1.266 1.943 0 CA-C-O 113.823 -2.989 . . . . 27.19 112.544 -179.997 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . 0.832 HBD2 ' HG2' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . 0.511 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.423 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . 0.543 ' O ' ' HD2' ' A' ' 71' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . 0.571 ' O ' ' HA2' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 104.896 -2.261 . . . . 50.62 104.896 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -147.71 40.54 1.0 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 125.61 2.624 . . . . 50.33 111.653 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.61 ' HE1' ' HA ' ' A' ' 92' ' ' ASN . 29.7 t80 -154.1 123.4 6.51 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 109.508 -3.497 . . . . 48.55 106.344 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 126.56 52.24 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 128.444 3.59 . . . . 46.48 107.019 177.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -62.12 142.72 57.44 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 127.325 2.89 . . . . 38.1 110.05 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -123.89 -144.08 6.41 Favored Glycine 0 C--O 1.251 1.163 0 CA-C-O 126.206 3.115 . . . . 32.81 115.834 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -85.55 117.11 24.25 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 111.934 -2.133 . . . . 25.3 108.083 179.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.96 94.38 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 105.313 -2.106 . . . . 20.14 105.313 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 15.9 mttm -54.38 -65.03 0.65 Allowed 'General case' 0 C--O 1.263 1.791 0 O-C-N 128.413 3.57 . . . . 19.11 109.725 -178.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -56.39 -31.61 64.02 Favored 'General case' 0 C--N 1.322 -0.607 1 O-C-N 129.992 4.558 . . . . 24.71 112.223 -176.158 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.81 -45.25 93.2 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 128.414 3.571 . . . . 15.47 106.758 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . -59.04 -42.01 89.23 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 129.579 3.752 . . . . 18.0 109.858 179.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -24.68 37.31 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 126.846 2.591 . . . . 19.5 112.432 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ARG 0.305 6.9 tp -72.52 -36.76 68.42 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 123.866 1.793 . . . . 22.62 107.529 178.972 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 14' ' ' CYS . 70.0 t80 -62.99 -51.22 67.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 113.61 -3.091 . . . . 17.35 107.544 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -59.26 -57.21 14.01 Favored 'General case' 0 N--CA 1.525 3.301 1 O-C-N 133.319 6.637 . . . . 19.6 111.935 -179.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -58.25 -33.53 69.48 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 113.084 -3.341 . . . . 12.47 107.124 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' NH2' ' O ' ' A' ' 107' ' ' HOH . 63.7 mtp180 -111.42 -21.11 11.98 Favored 'General case' 0 C--O 1.292 3.323 2 N-CA-C 125.523 5.379 . . . . 29.57 125.523 -176.894 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.6 m -128.49 8.15 5.89 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-N 125.429 3.741 . . . . 8.73 111.48 -177.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.283 59.4 tp -82.67 -32.92 27.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 116.332 -2.147 . . . . 4.83 113.889 -174.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -49.71 -28.15 5.7 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 128.359 3.537 . . . . 7.18 106.822 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.2 m -136.15 -1.19 2.41 Favored 'General case' 0 C--N 1.394 2.525 1 C-N-CA 110.445 -4.502 . . . . 9.6 115.852 -177.718 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 30' ' ' PRO 0.251 62.1 m-70 -137.6 158.69 43.85 Favored 'General case' 0 N--CA 1.483 1.223 1 O-C-N 129.143 4.027 . . . . 6.22 111.207 -179.152 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.812 ' HB ' ' OE1' ' A' ' 21' ' ' GLU . 12.2 p -131.42 145.16 51.68 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 128.909 3.881 . . . . 4.1 106.18 179.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.267 4.1 m -105.43 -27.68 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 127.957 3.286 . . . . 8.26 116.933 -176.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.812 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 1.4 mp0 -52.37 134.33 34.28 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 126.347 1.859 . . . . 21.55 113.763 -178.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -69.14 123.81 22.11 Favored 'General case' 1 N--CA 1.541 4.102 2 CA-C-O 110.752 -4.452 . . . . 17.33 99.817 177.403 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.44 -1.05 68.88 Favored Glycine 0 N--CA 1.495 2.593 0 CA-C-N 123.526 2.875 . . . . 10.76 107.538 -176.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.25 141.84 26.46 Favored Glycine 0 CA--C 1.543 1.798 0 N-CA-C 105.695 -2.962 . . . . 13.21 105.695 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . 0.271 49.5 Cg_endo -86.75 157.79 8.96 Favored 'Trans proline' 0 N--CA 1.425 -2.511 0 C-N-CA 124.17 3.247 . . . . 11.94 114.782 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.586 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 83.9 m-70 -78.73 156.03 29.09 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 123.966 1.841 . . . . 15.55 106.464 173.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HE2' HG23 ' A' ' 19' ' ' THR . 35.2 mtmt -134.58 -131.15 0.16 Allowed 'General case' 0 C--O 1.267 2.005 0 N-CA-C 100.466 -3.901 . . . . 14.13 100.466 176.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.29 -61.24 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.178 0 CA-C-O 115.603 -2.141 . . . . 8.88 107.617 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.42 176.53 46.68 Favored Glycine 1 N--CA 1.55 6.258 2 N-CA-C 99.419 -5.472 . . . . 8.04 99.419 177.056 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' ND1' ' A' ' 26' ' ' HIS 0.292 7.8 Cg_exo -88.05 172.67 5.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 1 C-N-CA 127.176 5.251 . . . . 11.21 108.754 -179.992 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -80.15 123.99 28.38 Favored 'General case' 0 C--N 1.293 -1.852 1 C-N-CA 132.015 4.126 . . . . 12.55 101.543 176.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 mt -88.63 1.52 54.87 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 108.944 -3.753 . . . . 13.73 113.145 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 23.5 t60 -54.64 120.33 6.56 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 123.084 1.421 . . . . 22.89 109.422 177.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' A' ' 196' ' ' HOH . . . 64.53 46.95 88.75 Favored Glycine 0 C--O 1.249 1.067 0 C-N-CA 125.779 1.657 . . . . 16.97 116.94 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.511 HD12 ' HE ' ' A' ' 38' ' ' ARG . 8.7 tp -68.53 -49.2 67.65 Favored 'Isoleucine or valine' 0 C--O 1.265 1.869 0 C-N-CA 126.694 1.997 . . . . 15.26 111.945 179.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.791 ' HA ' ' O ' ' A' ' 59' ' ' TRP 0.27 90.7 m-85 -56.22 145.95 24.97 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 126.628 2.455 . . . . 21.53 110.496 -177.419 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.95 5.01 44.73 Favored Glycine 0 C--O 1.249 1.045 0 CA-C-N 109.6 -3.454 . . . . 22.63 110.256 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.511 ' HE ' HD12 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -102.7 144.49 31.0 Favored 'General case' 0 CA--C 1.549 0.935 1 O-C-N 132.034 5.196 . . . . 29.09 110.213 178.533 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.564 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 72.9 m80 -80.76 167.47 19.93 Favored 'General case' 0 C--O 1.271 2.224 0 CA-C-N 109.14 -3.664 . . . . 22.19 107.671 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' O2A' ' A' ' 104' ' ' HEM . 82.9 p -81.15 161.63 23.98 Favored 'General case' 0 C--O 1.254 1.323 0 C-N-CA 117.532 -1.667 . . . . 17.74 110.956 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.826 ' CA ' HD21 ' A' ' 52' ' ' ASN . . . 57.69 37.88 85.48 Favored Glycine 0 C--O 1.254 1.353 0 C-N-CA 127.009 2.242 . . . . 18.16 114.189 179.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.72 1.36 12.78 Favored 'General case' 0 C--O 1.258 1.551 0 N-CA-C 118.37 2.73 . . . . 24.89 118.37 -173.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.72 125.24 30.37 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 103.269 -2.863 . . . . 26.06 103.269 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 46' ' ' TYR . 9.9 pt-20 -82.07 158.2 23.83 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.871 -1.059 . . . . 31.63 111.4 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.76 -6.6 80.23 Favored Glycine 1 N--CA 1.527 4.7 2 C-N-CA 112.049 -4.881 . . . . 21.6 101.457 -178.586 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' GLU 0.273 12.2 t80 -121.11 130.04 53.57 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 125.738 2.685 . . . . 17.53 114.67 178.364 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.97 75.89 4.76 Favored 'General case' 0 C--N 1.287 -2.141 1 C-N-CA 133.491 4.717 . . . . 15.87 116.349 -178.518 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.486 ' HB3' HD22 ' A' ' 52' ' ' ASN . 94.6 m-85 -76.33 165.95 24.13 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 117.49 -3.256 . . . . 15.96 109.899 178.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.569 HG23 ' HD2' ' A' ' 79' ' ' LYS . 70.7 p -68.58 175.24 3.58 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 103.976 -2.602 . . . . 16.87 103.976 176.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -78.44 -28.62 46.72 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 104.589 -2.374 . . . . 28.52 104.589 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . . . -55.26 -47.73 75.02 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.057 2.543 . . . . 14.8 114.176 -178.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.826 HD21 ' CA ' ' A' ' 41' ' ' GLY . 2.8 t30 -66.28 -46.81 75.74 Favored 'General case' 0 N--CA 1.42 -1.947 0 CA-C-N 108.607 -3.906 . . . . 24.73 111.353 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.585 HD13 ' HA3' ' A' ' 41' ' ' GLY . 4.0 mm -59.73 -49.34 84.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.916 0 O-C-N 127.13 2.768 . . . . 25.52 115.255 -177.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -47.42 84.12 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 110.392 -3.095 . . . . 15.75 110.619 -178.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.715 ' CD ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -38.53 -48.52 1.42 Allowed 'General case' 0 CA--C 1.56 1.329 0 O-C-N 126.072 2.108 . . . . 19.21 110.68 179.54 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.524 ' ND2' ' HB3' ' A' ' 39' ' ' HIS 0.298 3.1 t-20 44.67 48.13 8.73 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 127.61 3.069 . . . . 22.83 115.991 -178.336 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.715 HG22 ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -71.59 144.41 13.34 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 CA-C-N 112.102 -2.317 . . . . 21.61 109.967 179.863 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' O ' ' ND2' ' A' ' 63' ' ' ASN 0.468 0.5 OUTLIER -98.58 126.49 44.17 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 102.854 -3.017 . . . . 22.87 102.854 175.957 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.791 ' O ' ' HA ' ' A' ' 36' ' ' PHE 0.252 39.3 m95 -81.43 94.39 6.81 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 117.403 -1.719 . . . . 22.87 113.887 -175.479 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -117.58 149.9 39.89 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 112.593 -2.094 . . . . 22.61 106.203 179.002 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 2.4 pt-20 -44.35 -37.01 3.08 Favored 'General case' 0 C--O 1.257 1.468 1 O-C-N 129.457 4.223 . . . . 21.96 115.218 -177.3 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.6 m120 -77.11 -37.69 53.71 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.517 2.327 . . . . 25.58 114.334 -178.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 58' ' ' LEU 0.335 0.8 OUTLIER -65.02 -51.43 61.67 Favored 'General case' 0 N--CA 1.503 2.209 1 CA-C-O 131.759 5.552 . . . . 22.28 109.371 175.534 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . 0.699 ' HG3' HD12 ' A' ' 68' ' ' LEU . 21.8 tpp -49.56 -30.35 8.43 Favored 'General case' 0 C--O 1.262 1.74 1 CA-C-N 106.857 -4.701 . . . . 19.67 110.193 179.179 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . 0.455 ' OG ' ' HD2' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -77.09 -42.46 38.07 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 124.546 2.117 . . . . 9.42 112.532 -177.585 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -61.84 -60.97 2.85 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 109.991 -3.277 . . . . 13.82 106.008 177.934 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' GLU . 48.8 t80 -51.58 -50.84 59.36 Favored 'General case' 0 CA--C 1.57 1.749 0 O-C-N 119.322 -2.111 . . . . 7.89 107.183 177.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.699 HD12 ' HG3' ' A' ' 64' ' ' MET 0.316 2.1 mt -52.18 -36.74 52.71 Favored 'General case' 0 C--O 1.275 2.411 0 O-C-N 126.68 2.488 . . . . 13.03 109.844 -178.514 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -49.41 -54.7 16.1 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 113.991 1.108 . . . . 15.87 113.991 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -163.18 102.12 1.0 Allowed Pre-proline 0 C--N 1.31 -1.135 0 O-C-N 126.815 2.572 . . . . 20.09 107.054 -178.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HD2' ' O ' ' A' ' 172' ' ' HOH . 71.3 Cg_exo -53.18 -59.62 0.96 Allowed 'Trans proline' 0 C--O 1.298 3.514 0 C-N-CA 125.244 3.963 . . . . 12.44 117.262 -178.271 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.192 0 CA-C-O 126.797 3.189 . . . . 23.85 113.607 179.931 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -66.96 -41.7 86.46 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 103.994 -2.595 . . . . 17.59 103.994 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.521 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 34.0 t80 -69.14 -49.64 55.12 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-O 123.422 1.582 . . . . 15.04 110.99 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.954 ' O ' HG22 ' A' ' 78' ' ' THR 0.261 1.2 mt -131.63 91.73 33.17 Favored Pre-proline 0 C--O 1.251 1.143 0 CA-C-N 113.521 -1.672 . . . . 15.87 111.376 176.169 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -69.03 131.18 21.7 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 N-CA-C 104.254 -3.018 . . . . 13.05 104.254 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA3' ' HB2' ' A' ' 51' ' ' ALA . . . 118.85 -35.19 4.05 Favored Glycine 0 C--O 1.267 2.209 0 CA-C-O 117.457 -1.746 . . . . 8.4 112.58 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -50.34 134.88 22.66 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 125.973 1.631 . . . . 5.55 111.426 178.431 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.832 ' HG2' HBD2 ' A' ' 104' ' ' HEM . 1.2 ptmt -73.41 -18.4 61.15 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 115.268 -2.301 . . . . 7.88 110.475 -179.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . 0.687 ' HG3' ' C4C' ' A' ' 104' ' ' HEM . 47.0 ttp -55.96 124.81 18.95 Favored 'General case' 0 C--O 1.22 -0.461 1 O-C-N 129.325 4.141 . . . . 7.36 109.58 -177.521 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.03 78.37 3.56 Favored 'General case' 0 N--CA 1.484 1.226 1 O-C-N 130.789 5.056 . . . . 11.2 110.983 179.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CE1' ' HA2' ' A' ' 84' ' ' GLY 0.349 70.7 t80 -149.65 119.57 7.14 Favored 'General case' 0 C--N 1.388 2.258 1 C-N-CA 111.517 -4.073 . . . . 16.37 112.567 177.324 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.98 45.94 Favored Glycine 0 N--CA 1.415 -2.714 0 C-N-CA 128.289 2.852 . . . . 13.08 114.411 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 109.81 152.99 14.27 Favored Glycine 0 N--CA 1.483 1.774 0 CA-C-O 123.059 1.366 . . . . 15.95 113.251 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 90' ' ' ASP . 2.8 mt -87.82 97.93 11.19 Favored 'General case' 0 C--O 1.266 1.934 0 C-N-CA 128.837 2.855 . . . . 15.85 111.738 178.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -55.29 -40.88 71.6 Favored 'General case' 0 C--O 1.271 2.211 0 N-CA-C 116.559 2.059 . . . . 23.69 116.559 -179.53 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG3' ' HG3' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -86.88 134.63 33.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 127.327 3.442 . . . . 21.03 111.717 -177.53 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . 8.2 tt0 -67.18 -38.07 84.79 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 112.676 -2.056 . . . . 17.37 114.01 -179.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -55.27 -38.0 68.01 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-O 115.04 -2.41 . . . . 27.19 107.264 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.801 ' HB3' HD22 ' A' ' 85' ' ' LEU . 15.2 m-20 -76.22 -48.82 18.96 Favored 'General case' 0 C--N 1.299 -1.614 1 O-C-N 132.445 6.091 . . . . 18.45 110.546 -176.095 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.529 ' HB2' ' HA ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -53.78 -50.04 66.96 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-N 110.387 -3.097 . . . . 18.26 110.71 176.645 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.61 ' HA ' ' HE1' ' A' ' -3' ' ' PHE . 8.5 m-20 -64.28 -47.36 79.83 Favored 'General case' 0 C--O 1.257 1.448 0 C-N-CA 130.089 3.356 . . . . 22.6 109.922 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 72.6 m-20 -55.58 -60.77 2.96 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 124.536 1.147 . . . . 12.82 110.572 177.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.954 ' HG ' HD11 ' A' ' 98' ' ' LEU . 21.6 tp -53.72 -51.14 64.27 Favored 'General case' 0 C--O 1.266 1.945 0 CA-C-O 116.53 -1.7 . . . . 7.32 110.921 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HB ' ' CE1' ' A' ' -3' ' ' PHE . 51.2 mt -52.78 -28.85 13.75 Favored 'Isoleucine or valine' 0 C--O 1.269 2.107 0 C-N-CA 115.872 -2.331 . . . . 12.28 111.341 177.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 93' ' ' ASP . 2.9 m -65.24 -42.36 93.41 Favored 'General case' 0 N--CA 1.502 2.153 1 O-C-N 129.874 4.484 . . . . 13.51 106.238 179.624 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' LEU . 84.7 t80 -63.13 -50.98 68.33 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 114.106 -1.406 . . . . 12.89 112.8 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.954 HD11 ' HG ' ' A' ' 94' ' ' LEU . 2.1 mt -58.61 -45.54 88.95 Favored 'General case' 0 N--CA 1.488 1.452 1 O-C-N 129.436 4.21 . . . . 15.39 112.114 179.775 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' NZ ' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -51.86 -60.72 2.85 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 127.381 2.926 . . . . 20.93 108.757 178.332 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' HG2' ' NZ ' ' A' ' 99' ' ' LYS 0.27 26.1 mmtt -60.54 -66.27 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 112.973 -3.491 . . . . 21.32 111.289 179.872 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.282 . . -53.12 -29.38 30.64 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 113.452 -1.704 . . . . 17.77 114.161 -173.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' LEU 0.385 23.9 p -90.02 10.79 22.75 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 113.466 -3.293 . . . . 19.13 111.441 -177.438 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 C--O 1.266 1.943 0 CA-C-O 113.823 -2.989 . . . . 27.19 112.544 -179.997 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . 0.832 HBD2 ' HG2' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . 0.511 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.423 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . 0.543 ' O ' ' HD2' ' A' ' 71' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . 0.571 ' O ' ' HA2' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_