data_5klu_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 5klu _Structure_validation_residue.Date_analyzed 2017-03-17 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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 112.565 -0.214 . . . . 84.38 112.565 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -89.26 105.26 17.68 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.099 -1.074 . . . . 69.03 108.099 169.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.03 68.79 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 118.684 -1.206 . . . . 61.14 111.232 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -66.36 -46.87 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.774 -0.37 . . . . 57.11 111.147 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -67.15 -32.3 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 117.852 -1.539 . . . . 97.73 111.886 172.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.19 99.89 Favored Glycine 0 N--CA 1.465 0.571 0 C-N-CA 119.745 -1.217 . . . . 42.13 113.614 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.26 76.75 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 122.032 -0.687 . . . . 43.86 111.318 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.6 m -68.25 -38.31 81.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.684 -0.407 . . . . 57.04 110.852 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.8 mt -58.39 -44.25 88.85 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 119.482 -0.887 . . . . 48.57 111.241 172.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -66.32 -38.18 87.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 118.011 -1.475 . . . . 49.71 110.629 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -62.23 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 118.598 -1.241 . . . . 47.11 111.719 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.0 p -92.08 -17.81 24.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.397 -0.921 . . . . 54.06 113.308 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -116.08 -21.0 9.65 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 115.005 1.483 . . . . 55.75 115.005 -173.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.02 -34.99 2.5 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.466 1.03 . . . . 36.07 111.648 -170.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.24 -25.52 67.12 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.02 0.748 . . . . 51.6 113.02 -172.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -60.37 -22.82 63.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.522 -0.871 . . . . 57.99 112.335 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.4 m -124.83 -5.02 7.52 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 115.328 1.603 . . . . 36.38 115.328 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -139.36 141.05 37.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.78 1.173 . . . . 37.0 111.57 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -103.77 165.38 11.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.202 1.001 . . . . 39.11 108.423 162.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.19 -16.15 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.042 -0.981 . . . . 42.09 110.957 -172.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 18.3 pm0 -77.94 154.5 31.56 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.818 0.818 . . . . 70.93 110.846 -168.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -61.54 132.33 53.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.254 -0.885 . . . . 82.95 110.36 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.05 60.56 Favored Glycine 0 C--O 1.241 0.554 0 N-CA-C 115.617 1.007 . . . . 51.25 115.617 -172.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 153.53 33.14 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 119.049 1.424 . . . . 47.05 111.429 -177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.68 158.53 50.42 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 118.097 0.948 . . . . 41.05 110.895 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -78.17 156.14 30.03 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.593 -1.185 . . . . 37.95 108.853 165.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.89 -144.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.827 -1.545 . . . . 46.42 106.827 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 t -53.9 -39.7 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 118.142 -1.423 . . . . 36.11 110.657 171.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.69 168.48 12.65 Favored Glycine 0 C--N 1.338 0.691 0 O-C-N 121.642 -0.661 . . . . 31.06 111.559 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.02 151.98 35.63 Favored 'Trans proline' 0 C--N 1.326 -0.613 0 CA-C-O 121.567 0.57 . . . . 32.5 112.734 -172.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.84 135.84 29.16 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.877 -1.056 . . . . 36.87 109.932 165.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -101.36 6.34 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.821 0.675 . . . . 44.37 112.821 -171.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . 0.65 ' ND1' ' O ' ' A' ' 302' ' ' HOH . 84.3 t60 -55.64 132.21 48.34 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.879 -0.728 . . . . 63.7 109.643 179.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.24 11.89 79.57 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 115.877 1.111 . . . . 49.1 115.877 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 tp -56.56 -39.13 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 118.696 1.248 . . . . 44.31 111.895 -172.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -74.8 141.46 44.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 118.607 -1.237 . . . . 52.73 110.561 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.57 65.92 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.578 -1.296 . . . . 84.03 115.76 -171.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.47 165.06 17.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.22 1.51 . . . . 65.51 108.404 162.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -83.04 155.56 23.85 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.288 -0.965 . . . . 50.2 110.251 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 p -58.01 146.63 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.303 -0.862 . . . . 40.88 110.272 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.18 22.07 66.23 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 115.657 1.023 . . . . 40.48 115.657 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -119.56 0.66 11.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 116.535 2.05 . . . . 50.15 116.535 -171.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.75 132.63 54.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 120.264 1.393 . . . . 40.29 110.427 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -65.73 135.99 55.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.976 -0.557 . . . . 104.74 111.802 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.36 -0.01 88.48 Favored Glycine 0 CA--C 1.504 -0.6 0 N-CA-C 115.138 0.815 . . . . 39.87 115.138 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -122.68 134.6 54.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.861 1.33 . . . . 38.78 108.072 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -112.24 125.78 54.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.403 -1.332 . . . . 35.82 107.403 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -96.03 167.97 10.9 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 124.887 1.275 . . . . 37.26 111.166 -164.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 p -68.62 176.11 3.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 116.844 -1.942 . . . . 37.37 108.804 167.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -77.04 -0.86 26.18 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 118.48 -1.288 . . . . 61.73 113.531 177.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.6 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.501 -0.88 . . . . 53.82 112.317 -176.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -76.85 -11.4 59.82 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 116.545 -2.062 . . . . 51.32 112.772 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mt -63.09 -52.93 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 119.549 -0.86 . . . . 60.09 110.105 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -87.19 -7.2 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 114.312 1.227 . . . . 86.85 114.312 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -128.01 66.4 1.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.466 -1.309 . . . . 90.16 107.466 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -96.57 135.05 39.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.378 -0.601 . . . . 64.75 109.378 -170.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -136.37 157.79 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.237 1.018 . . . . 52.66 110.765 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.1 tp -93.84 108.43 20.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.496 -1.668 . . . . 55.26 106.496 165.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -63.07 124.57 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.598 -0.274 . . . . 41.69 110.856 -170.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -137.47 -172.59 3.26 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 106.765 -1.569 . . . . 52.84 106.765 168.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.6 mp0 -75.74 -26.62 57.61 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 119.423 -0.911 . . . . 70.85 112.312 -173.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -69.06 -57.66 5.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 117.74 0.245 . . . . 57.84 111.646 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -71.26 -28.32 64.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 118.686 -1.205 . . . . 47.12 112.589 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.9 tpp -60.25 -45.69 92.37 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.918 -1.113 . . . . 70.74 110.935 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -63.77 -40.08 95.8 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.845 -0.742 . . . . 59.55 110.722 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -62.28 -48.54 79.44 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.842 -0.343 . . . . 83.18 111.076 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -56.92 -45.92 82.36 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.725 -0.216 . . . . 44.6 110.43 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.8 mt -75.67 -9.77 58.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 112.478 0.547 . . . . 48.15 112.478 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -65.42 -23.23 66.9 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.058 -1.057 . . . . 63.68 110.939 167.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -170.62 74.54 0.58 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 118.306 0.503 . . . . 61.63 112.198 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -68.42 -26.42 34.75 Favored 'Trans proline' 0 C--O 1.24 0.617 0 CA-C-N 119.046 0.695 . . . . 43.98 113.9 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.08 71.22 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.043 -0.663 . . . . 53.25 112.383 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -65.86 -16.3 63.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.129 -1.029 . . . . 81.05 112.113 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -94.08 -7.01 43.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.207 0.818 . . . . 71.0 113.207 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.6 mm -76.16 119.57 77.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 106.646 -1.612 . . . . 52.27 106.646 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.5 135.04 62.05 Favored 'Trans proline' 0 C--N 1.33 -0.408 0 CA-C-N 119.392 0.819 . . . . 60.24 111.172 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' N ' ' O4 ' ' A' ' 205' ' ' SO4 . . . 95.22 -16.17 61.84 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-O 118.757 -1.024 . . . . 68.13 115.558 179.398 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -64.46 -35.69 81.75 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.065 1.432 . . . . 57.38 111.086 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -70.05 -39.77 75.5 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.048 -1.061 . . . . 84.06 110.972 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 mtp -65.85 -21.73 66.49 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.5 0.556 . . . . 93.51 112.5 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.56 -45.51 69.93 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 111.854 0.316 . . . . 73.34 111.854 -172.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -109.08 32.01 5.26 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.406 0.521 . . . . 80.84 112.406 -174.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.19 25.73 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.172 -0.794 . . . . 80.2 114.941 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . 0.819 ' O ' ' NH2' ' B' ' 13' ' ' ARG . . . -68.35 135.63 29.53 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 118.57 1.185 . . . . 77.74 110.877 171.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.59 132.69 54.41 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.372 -0.973 . . . . 96.46 108.372 170.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -76.99 -67.92 0.66 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.655 0.597 . . . . 111.24 111.268 -172.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -66.21 141.72 57.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.195 0.522 . . . . 131.38 110.949 -170.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.38 -35.47 79.39 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.854 -0.612 . . . . 137.22 111.791 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -74.26 5.48 4.45 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 118.142 -1.423 . . . . 142.31 112.897 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.07 -37.91 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 119.249 0.931 . . . . 131.39 112.939 174.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -62.08 -52.39 64.08 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.545 -0.862 . . . . 109.23 110.49 168.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -55.5 -31.85 62.37 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.879 -0.328 . . . . 137.24 111.298 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.62 -40.93 93.13 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.325 -0.55 . . . . 147.11 110.944 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -105.16 -10.93 16.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 114.982 1.475 . . . . 123.28 114.982 -168.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.4 tt -75.44 -32.76 25.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 117.896 -1.521 . . . . 153.06 109.826 169.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.6 p -64.47 -26.52 68.48 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.051 -0.66 . . . . 153.88 111.516 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . 0.59 ' O ' ' N ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -75.63 -44.88 40.5 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.456 -0.898 . . . . 156.34 110.21 167.467 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.99 -24.76 2.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.301 -0.56 . . . . 133.77 111.62 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -75.53 -31.86 60.26 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.226 0.454 . . . . 154.53 112.226 170.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 97' ' ' TYR . 86.1 mttt -72.86 -50.39 24.2 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.718 -0.393 . . . . 139.63 111.184 179.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.36 -20.99 62.09 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.712 0.634 . . . . 138.7 112.712 -175.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 m -59.78 -47.07 87.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.337 -0.545 . . . . 160.41 110.657 168.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 109.666 -0.494 . . . . 181.67 109.666 173.107 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -3' ' ' PHE . . . . . . . . . . . . . 13.6 p90 . . . . . 0 CA--C 1.527 0.095 0 N-CA-C 113.078 0.77 . . . . 148.69 113.078 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -2' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -125.75 134.72 51.66 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.086 -0.709 . . . . 144.92 109.086 169.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -1' ' ' ALA . . . . . . . . . . . . . . . 45.72 -151.59 0.06 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.379 1.072 . . . . 146.47 113.848 168.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 148.38 179.44 24.33 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.041 -1.224 . . . . 153.57 110.041 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -86.09 145.26 27.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.657 -0.772 . . . . 132.03 110.68 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.83 -35.01 13.62 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.898 0.703 . . . . 150.33 112.898 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -71.13 -46.32 61.82 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.73 -0.788 . . . . 158.41 111.025 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -65.13 -19.45 65.99 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.334 -0.946 . . . . 136.01 111.133 168.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.35 -60.04 9.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.808 -0.234 . . . . 135.03 112.64 171.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.58 71.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.425 -0.51 . . . . 146.67 111.125 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 12' ' ' THR . 17.4 p -66.07 -55.34 17.06 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.416 -0.513 . . . . 137.79 110.999 -179.79 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.03 -44.99 87.66 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.181 -0.607 . . . . 103.21 111.453 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.88 -30.16 70.26 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.292 -0.963 . . . . 103.62 111.459 177.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -75.08 -35.75 61.78 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.609 -0.436 . . . . 128.36 111.522 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . 0.46 ' N ' ' O ' ' B' ' 8' ' ' THR . 50.8 p -65.41 -40.38 93.32 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.633 -0.827 . . . . 97.7 111.376 178.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . 0.819 ' NH2' ' O ' ' A' ' 84' ' ' GLY . 5.5 mmm180 -122.0 -5.52 9.01 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 115.161 1.541 . . . . 90.21 115.161 -163.416 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 m -129.34 -35.92 1.74 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.145 -1.022 . . . . 90.32 113.674 -177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -47.99 -33.29 7.64 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.072 0.767 . . . . 101.4 113.072 -172.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -25.34 68.19 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 121.009 -0.276 . . . . 98.36 111.702 -176.294 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -125.37 -5.42 7.17 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.793 1.405 . . . . 86.23 114.793 -172.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -144.44 137.69 27.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.905 0.775 . . . . 94.87 110.1 -173.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 p -111.89 172.13 7.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.206 -1.035 . . . . 100.86 108.206 160.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.09 -42.61 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 118.098 -1.441 . . . . 120.4 113.163 -170.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.52 149.16 8.24 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.222 0.534 . . . . 149.07 110.931 -171.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -49.41 127.55 15.42 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.572 -0.74 . . . . 156.15 111.325 -175.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.05 18.91 76.8 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 114.811 0.684 . . . . 133.12 114.811 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.38 155.35 46.95 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 118.143 0.971 . . . . 122.12 112.512 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -67.74 156.14 67.19 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 CA-C-O 121.962 0.734 . . . . 103.62 111.225 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -80.71 157.85 25.74 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.018 -0.992 . . . . 115.54 109.941 168.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -126.72 -155.34 0.68 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.557 -1.645 . . . . 100.34 106.557 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -55.78 -32.12 31.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 118.648 -1.221 . . . . 90.36 109.71 165.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.83 157.07 15.18 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.76 -0.536 . . . . 84.67 111.76 172.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.62 153.52 73.28 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 CA-C-O 121.8 0.667 . . . . 99.7 112.04 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -63.41 149.19 46.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.878 -1.055 . . . . 104.71 109.242 170.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 36.3 mt -111.66 18.77 18.7 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.771 0.656 . . . . 119.04 112.771 -168.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.02 114.24 2.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 117.923 0.329 . . . . 137.94 111.018 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.15 54.54 36.71 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-O 120.065 -0.297 . . . . 135.02 113.741 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 tp -64.44 -18.61 23.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 117.311 0.555 . . . . 112.34 110.976 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -86.19 154.85 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 154.09 109.604 171.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.69 -57.99 2.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.507 -0.854 . . . . 158.44 112.777 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -71.17 119.82 15.85 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.298 -0.63 . . . . 176.45 109.298 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -54.32 155.18 3.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.493 0.664 . . . . 158.62 111.094 -171.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' SER . . . . . 0.585 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 5.6 p -72.39 146.42 47.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.606 0.717 . . . . 140.91 111.112 -173.842 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.09 28.47 73.57 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 115.468 -0.787 . . . . 109.91 113.567 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -131.53 55.33 1.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 117.707 0.754 . . . . 128.26 110.145 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.51 121.99 43.45 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.409 -0.96 . . . . 111.14 108.409 172.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.39 150.37 47.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.716 -0.794 . . . . 155.3 110.074 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.85 6.67 88.2 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.525 -0.761 . . . . 111.21 114.331 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -158.54 116.61 2.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.851 -1.166 . . . . 107.72 107.851 -177.715 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -101.39 137.33 39.87 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.297 -0.631 . . . . 133.94 109.297 173.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' TYR . . . . . 0.401 ' OH ' ' O1A' ' B' ' 201' ' ' HEM . 5.7 m-85 -90.1 177.89 6.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.864 0.84 . . . . 109.09 110.712 -165.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . 0.479 ' OG1' ' O2D' ' B' ' 201' ' ' HEM . 68.2 p -66.11 159.86 25.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.569 -0.741 . . . . 89.95 109.314 163.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -78.39 18.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.81 -0.756 . . . . 123.72 111.693 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.11 -30.3 58.18 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.651 -0.42 . . . . 119.24 111.519 169.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASN . . . . . 0.759 ' OD1' ' ND2' ' B' ' 56' ' ' ASN . 47.8 t30 -57.24 -16.97 9.6 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.237 0.458 . . . . 141.44 112.237 176.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mt -87.1 -26.93 5.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 112.468 0.544 . . . . 113.18 112.468 -175.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -81.72 -50.05 9.73 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.02 -0.672 . . . . 132.99 111.004 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LYS . . . . . 0.454 ' NZ ' " O6'" ' B' ' 202' ' ' 6UZ . 34.0 mmtt -114.63 113.35 24.24 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.364 -0.976 . . . . 133.98 108.364 178.524 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASN . . . . . 0.759 ' ND2' ' OD1' ' B' ' 52' ' ' ASN . 22.0 t-20 -155.6 81.46 1.03 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.832 -0.747 . . . . 160.12 111.025 175.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 t -116.15 133.28 63.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.551 -1.648 . . . . 144.99 106.551 161.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -62.08 144.47 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.379 0.609 . . . . 148.17 111.364 -170.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -67.89 158.65 32.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.039 0.923 . . . . 145.91 111.251 -174.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -140.52 -162.02 1.29 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.542 -1.281 . . . . 144.1 107.542 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -68.32 -27.02 65.92 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.485 -0.486 . . . . 149.62 111.685 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -104.55 -63.22 1.23 Allowed 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.425 0.528 . . . . 151.66 112.425 -171.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -67.31 -15.02 63.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.846 0.684 . . . . 153.16 112.846 -169.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' MET . . . . . 0.537 ' O ' ' N ' ' B' ' 67' ' ' TYR . 15.3 ttp -75.01 -41.1 60.09 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 118.788 -1.165 . . . . 140.16 110.841 172.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.7 t -47.59 -34.17 7.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.789 -0.364 . . . . 124.04 111.547 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' B' ' 69' ' ' THR . 1.9 tt0 -63.69 -34.62 78.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.412 -0.515 . . . . 127.92 111.108 172.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' B' ' 64' ' ' MET . 56.9 t80 -67.92 -33.59 74.99 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.001 -0.679 . . . . 116.39 111.601 179.536 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 mp -80.7 0.78 32.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.18 0.808 . . . . 105.52 113.18 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 66' ' ' GLU . 70.4 p -75.33 -47.3 28.37 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.768 -0.773 . . . . 104.36 110.446 170.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -146.2 79.38 10.78 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 109.083 -0.71 . . . . 102.83 109.083 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.83 -25.92 52.7 Favored 'Trans proline' 0 C--O 1.237 0.438 0 CA-C-O 119.456 -0.31 . . . . 91.2 112.628 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.55 -21.88 65.43 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.474 0.546 . . . . 75.6 112.474 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -56.78 -30.43 63.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.196 0.453 . . . . 111.21 111.469 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.3 -8.03 40.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.254 0.835 . . . . 97.45 113.254 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 tp -82.76 129.36 62.41 Favored Pre-proline 0 C--O 1.242 0.705 0 CA-C-N 119.193 0.906 . . . . 90.27 108.9 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -72.58 148.08 46.93 Favored 'Trans proline' 0 C--N 1.332 -0.322 0 C-N-CA 120.475 0.783 . . . . 93.17 112.868 -169.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.12 -5.18 84.87 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.988 -1.005 . . . . 82.64 114.598 -173.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -72.67 -36.23 67.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 118.216 1.008 . . . . 75.87 111.543 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' B' ' 302' ' ' HOH . 20.3 mmtp -58.3 -56.23 24.79 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.343 -0.543 . . . . 91.4 110.641 173.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' MET . . . . . . . . . . . . . 34.3 mtp -62.6 -21.59 65.74 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.339 0.866 . . . . 85.86 113.339 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.02 -56.24 11.55 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.93 0.715 . . . . 77.85 112.93 -166.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -108.28 41.99 1.46 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.993 0.517 . . . . 53.53 109.872 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.19 41.43 Favored Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 116.2 1.24 . . . . 47.88 116.2 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.19 133.82 28.82 Favored Glycine 0 C--O 1.237 0.333 0 CA-C-N 118.527 1.163 . . . . 48.9 111.374 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.31 112.28 19.25 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.742 -0.836 . . . . 57.02 108.742 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -71.91 -36.89 70.12 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.398 -0.521 . . . . 95.4 112.021 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.73 131.15 34.22 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.66 -0.65 . . . . 87.0 110.54 -173.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLU . . . . . 0.511 ' N ' ' O4 ' ' B' ' 203' ' ' SO4 . 16.7 tt0 -65.72 -34.63 78.63 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.249 0.463 . . . . 89.8 112.249 -179.069 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -63.61 -33.5 75.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.952 -0.699 . . . . 86.81 111.342 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.39 -45.6 83.38 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.597 -0.441 . . . . 69.1 111.24 172.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -62.56 -38.99 92.24 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.227 -0.589 . . . . 56.97 111.016 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -58.49 -48.71 79.92 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.793 0.294 . . . . 65.28 111.793 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -68.43 -40.95 81.01 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.447 -0.901 . . . . 56.34 110.695 -177.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.91 -44.06 97.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.456 -0.897 . . . . 42.16 110.934 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.04 -39.19 83.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 120.735 -0.386 . . . . 51.64 110.046 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.3 m -54.79 -50.38 68.65 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.667 -0.413 . . . . 59.44 110.737 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.56 -45.37 87.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.254 -0.978 . . . . 60.35 111.516 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 tp -67.01 -35.77 80.66 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.257 -0.577 . . . . 42.16 111.619 -169.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LYS . . . . . 0.748 ' NZ ' ' O ' ' B' ' 301' ' ' HOH . 14.1 tptm -57.2 -41.86 80.16 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.627 -0.429 . . . . 70.41 111.244 179.121 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.72 -37.23 30.97 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.17 -1.012 . . . . 87.77 112.408 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.37 -30.69 66.43 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.039 -0.664 . . . . 49.41 111.745 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -91.13 -8.9 47.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.14 0.793 . . . . 49.05 113.14 -177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--N 1.325 -0.489 0 C-N-CA 116.405 -2.118 . . . . 89.8 111.319 -173.622 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' 6UZ . . . . . 0.491 ' O2 ' ' O4 ' ' A' ' 202' ' ' 6UZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' SO4 . . . . . 0.473 ' O4 ' ' N ' ' A' ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HEM . . . . . 0.479 ' O2D' ' OG1' ' B' ' 49' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' 6UZ . . . . . 0.454 " O6'" ' NZ ' ' B' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' SO4 . . . . . 0.511 ' O4 ' ' N ' ' B' ' 88' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.65 ' O ' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . 0.748 ' O ' ' NZ ' ' B' ' 99' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . 0.423 ' O ' ' O ' ' B' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 112.565 -0.214 . . . . 84.38 112.565 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -89.26 105.26 17.68 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.099 -1.074 . . . . 69.03 108.099 169.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.03 68.79 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 118.684 -1.206 . . . . 61.14 111.232 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -66.36 -46.87 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.774 -0.37 . . . . 57.11 111.147 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -67.15 -32.3 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 117.852 -1.539 . . . . 97.73 111.886 172.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.19 99.89 Favored Glycine 0 N--CA 1.465 0.571 0 C-N-CA 119.745 -1.217 . . . . 42.13 113.614 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -55.44 -46.26 76.75 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 122.032 -0.687 . . . . 43.86 111.318 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.6 m -68.25 -38.31 81.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.684 -0.407 . . . . 57.04 110.852 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.8 mt -58.39 -44.25 88.85 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 119.482 -0.887 . . . . 48.57 111.241 172.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 38.6 t80 -66.32 -38.18 87.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 118.011 -1.475 . . . . 49.71 110.629 -176.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HD2' HD22 ' A' ' 15' ' ' LEU . 9.8 mmtm -62.23 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 118.598 -1.241 . . . . 55.83 111.719 -176.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.0 p -92.08 -17.81 24.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.397 -0.921 . . . . 54.06 113.308 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -116.08 -21.0 9.65 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 115.005 1.483 . . . . 55.75 115.005 -173.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.02 -34.99 2.5 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.466 1.03 . . . . 36.07 111.648 -170.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD22 ' HD2' ' A' ' 11' ' ' LYS . 46.0 tp -61.24 -25.52 67.12 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.02 0.748 . . . . 51.6 113.02 -172.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -60.37 -22.82 63.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.522 -0.871 . . . . 57.99 112.335 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.4 m -124.83 -5.02 7.52 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 115.328 1.603 . . . . 36.38 115.328 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -139.36 141.05 37.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.78 1.173 . . . . 37.0 111.57 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -103.77 165.38 11.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.202 1.001 . . . . 39.11 108.423 162.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 11.1 t -128.19 -16.15 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.042 -0.981 . . . . 42.09 110.957 -172.216 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -77.94 154.5 31.56 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.818 0.818 . . . . 70.93 110.846 -168.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -61.54 132.33 53.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.254 -0.885 . . . . 82.95 110.36 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.05 60.56 Favored Glycine 0 C--O 1.241 0.554 0 N-CA-C 115.617 1.007 . . . . 51.25 115.617 -172.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 153.53 33.14 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 119.049 1.424 . . . . 47.05 111.429 -177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.68 158.53 50.42 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 118.097 0.948 . . . . 41.05 110.895 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -78.17 156.14 30.03 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.593 -1.185 . . . . 37.95 108.853 165.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.89 -144.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.827 -1.545 . . . . 46.42 106.827 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 t -53.9 -39.7 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 118.142 -1.423 . . . . 36.11 110.657 171.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.69 168.48 12.65 Favored Glycine 0 C--N 1.338 0.691 0 O-C-N 121.642 -0.661 . . . . 31.06 111.559 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.02 151.98 35.63 Favored 'Trans proline' 0 C--N 1.326 -0.613 0 CA-C-O 121.567 0.57 . . . . 32.5 112.734 -172.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.84 135.84 29.16 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.877 -1.056 . . . . 36.87 109.932 165.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -101.36 6.34 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.821 0.675 . . . . 44.37 112.821 -171.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.65 ' ND1' ' O ' ' A' ' 302' ' ' HOH . 84.3 t60 -55.64 132.21 48.34 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.879 -0.728 . . . . 63.7 109.643 179.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.24 11.89 79.57 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 115.877 1.111 . . . . 49.1 115.877 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 tp -56.56 -39.13 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 118.696 1.248 . . . . 44.31 111.895 -172.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -74.8 141.46 44.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 118.607 -1.237 . . . . 52.73 110.561 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.57 65.92 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.578 -1.296 . . . . 84.03 115.76 -171.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.47 165.06 17.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.22 1.51 . . . . 65.51 108.404 162.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -83.04 155.56 23.85 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.288 -0.965 . . . . 50.2 110.251 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 p -58.01 146.63 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.303 -0.862 . . . . 40.88 110.272 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.18 22.07 66.23 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 115.657 1.023 . . . . 40.48 115.657 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -119.56 0.66 11.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 116.535 2.05 . . . . 50.15 116.535 -171.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.75 132.63 54.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 120.264 1.393 . . . . 40.29 110.427 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HA ' ' O2 ' ' A' ' 204' ' ' SO4 . 28.4 tt0 -65.73 135.99 55.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.976 -0.557 . . . . 104.74 111.802 175.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.36 -0.01 88.48 Favored Glycine 0 CA--C 1.504 -0.6 0 N-CA-C 115.138 0.815 . . . . 39.87 115.138 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -122.68 134.6 54.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.861 1.33 . . . . 38.78 108.072 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -112.24 125.78 54.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.403 -1.332 . . . . 35.82 107.403 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -96.03 167.97 10.9 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 124.887 1.275 . . . . 37.26 111.166 -164.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 p -68.62 176.11 3.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 116.844 -1.942 . . . . 37.37 108.804 167.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -77.04 -0.86 26.18 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 118.48 -1.288 . . . . 61.73 113.531 177.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.6 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.501 -0.88 . . . . 53.82 112.317 -176.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -76.85 -11.4 59.82 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 116.545 -2.062 . . . . 51.32 112.772 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mt -63.09 -52.93 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 119.549 -0.86 . . . . 60.09 110.105 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -87.19 -7.2 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 114.312 1.227 . . . . 86.85 114.312 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -128.01 66.4 1.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.466 -1.309 . . . . 90.16 107.466 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -96.57 135.05 39.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.378 -0.601 . . . . 64.75 109.378 -170.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -136.37 157.79 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.237 1.018 . . . . 52.66 110.765 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.1 tp -93.84 108.43 20.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.496 -1.668 . . . . 55.26 106.496 165.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -63.07 124.57 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.598 -0.274 . . . . 41.69 110.856 -170.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -137.47 -172.59 3.26 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 106.765 -1.569 . . . . 52.84 106.765 168.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.6 mp0 -75.74 -26.62 57.61 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 119.423 -0.911 . . . . 70.85 112.312 -173.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -69.06 -57.66 5.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 117.74 0.245 . . . . 57.84 111.646 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -71.26 -28.32 64.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 118.686 -1.205 . . . . 47.12 112.589 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.9 tpp -60.25 -45.69 92.37 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.918 -1.113 . . . . 70.74 110.935 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -63.77 -40.08 95.8 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.845 -0.742 . . . . 59.55 110.722 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -62.28 -48.54 79.44 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.842 -0.343 . . . . 83.18 111.076 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -56.92 -45.92 82.36 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.725 -0.216 . . . . 44.6 110.43 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD13 HD23 ' B' ' 94' ' ' LEU . 79.8 mt -75.67 -9.77 58.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 112.478 0.547 . . . . 48.15 112.478 -172.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -65.42 -23.23 66.9 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.058 -1.057 . . . . 63.68 110.939 167.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -170.62 74.54 0.58 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 118.306 0.503 . . . . 61.63 112.198 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -68.42 -26.42 34.75 Favored 'Trans proline' 0 C--O 1.24 0.617 0 CA-C-N 119.046 0.695 . . . . 43.98 113.9 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.08 71.22 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.043 -0.663 . . . . 53.25 112.383 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -65.86 -16.3 63.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.129 -1.029 . . . . 81.05 112.113 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -94.08 -7.01 43.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.207 0.818 . . . . 71.0 113.207 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.6 mm -76.16 119.57 77.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 106.646 -1.612 . . . . 52.27 106.646 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.5 135.04 62.05 Favored 'Trans proline' 0 C--N 1.33 -0.408 0 CA-C-N 119.392 0.819 . . . . 60.24 111.172 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.22 -16.17 61.84 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-O 118.757 -1.024 . . . . 68.13 115.558 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -64.46 -35.69 81.75 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.065 1.432 . . . . 57.38 111.086 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.568 ' HD2' ' HB2' ' B' ' 70' ' ' ASN . 25.1 mtmm -70.05 -39.77 75.5 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.048 -1.061 . . . . 84.06 110.972 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 mtp -65.85 -21.73 66.49 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.5 0.556 . . . . 93.51 112.5 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.56 -45.51 69.93 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 111.854 0.316 . . . . 73.34 111.854 -172.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -109.08 32.01 5.26 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.406 0.521 . . . . 80.84 112.406 -174.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.19 25.73 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.172 -0.794 . . . . 80.2 114.941 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . 0.811 ' O ' ' NH2' ' B' ' 13' ' ' ARG . . . -68.35 135.63 29.53 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 118.57 1.185 . . . . 77.74 110.877 171.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD11 HBB1 ' B' ' 201' ' ' HEM . 6.5 mp -122.59 132.69 54.41 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.372 -0.973 . . . . 96.46 108.372 170.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -76.99 -67.92 0.66 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.655 0.597 . . . . 111.24 111.268 -172.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -66.21 141.72 57.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.195 0.522 . . . . 131.38 110.949 -170.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.38 -35.47 79.39 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.854 -0.612 . . . . 137.22 111.791 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -74.26 5.48 4.45 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 118.142 -1.423 . . . . 142.31 112.897 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.07 -37.91 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 119.249 0.931 . . . . 131.39 112.939 174.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.423 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.6 mtt85 -62.08 -52.39 64.08 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.545 -0.862 . . . . 109.23 110.49 168.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -55.5 -31.85 62.37 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.879 -0.328 . . . . 137.24 111.298 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.62 -40.93 93.13 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.325 -0.55 . . . . 147.11 110.944 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.733 HD21 ' HA2' ' B' ' 6' ' ' GLY . 1.5 mm? -105.16 -10.93 16.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 114.982 1.475 . . . . 123.28 114.982 -168.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 91' ' ' ARG . 6.4 tt -75.44 -32.76 25.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 117.896 -1.521 . . . . 153.06 109.826 169.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.6 p -64.47 -26.52 68.48 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.051 -0.66 . . . . 153.88 111.516 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.59 ' O ' ' N ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -75.63 -44.88 40.5 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.456 -0.898 . . . . 156.34 110.21 167.467 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.99 -24.76 2.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.301 -0.56 . . . . 133.77 111.62 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -75.53 -31.86 60.26 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.226 0.454 . . . . 154.53 112.226 170.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 97' ' ' TYR . 86.1 mttt -72.86 -50.39 24.2 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.718 -0.393 . . . . 139.63 111.184 179.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . 0.636 ' HB1' HG11 ' B' ' 20' ' ' VAL . . . -71.36 -20.99 62.09 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.712 0.634 . . . . 138.7 112.712 -175.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 m -59.78 -47.07 87.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.337 -0.545 . . . . 160.41 110.657 168.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 109.666 -0.494 . . . . 181.67 109.666 173.107 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -3' ' ' PHE . . . . . 0.412 ' C ' ' HD3' ' B' ' -2' ' ' LYS . 13.6 p90 . . . . . 0 CA--C 1.527 0.095 0 N-CA-C 113.078 0.77 . . . . 148.69 113.078 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -2' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' B' ' -3' ' ' PHE . 2.6 mmtm -125.75 134.72 51.66 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.086 -0.709 . . . . 144.92 109.086 169.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' -1' ' ' ALA . . . . . . . . . . . . . . . 45.72 -151.59 0.06 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.379 1.072 . . . . 146.47 113.848 168.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 148.38 179.44 24.33 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.041 -1.224 . . . . 153.57 110.041 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -86.09 145.26 27.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.657 -0.772 . . . . 132.03 110.68 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.83 -35.01 13.62 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.898 0.703 . . . . 150.33 112.898 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . 0.431 ' O ' HG23 ' B' ' 8' ' ' THR . 27.4 tttp -71.13 -46.32 61.82 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.73 -0.788 . . . . 158.41 111.025 -176.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -65.13 -19.45 65.99 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.334 -0.946 . . . . 136.01 111.133 168.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . 0.733 ' HA2' HD21 ' A' ' 94' ' ' LEU . . . -54.35 -60.04 9.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.808 -0.234 . . . . 135.03 112.64 171.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.58 71.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.425 -0.51 . . . . 146.67 111.125 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 4' ' ' LYS . 17.4 p -66.07 -55.34 17.06 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.416 -0.513 . . . . 137.79 110.999 -179.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.43 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . 1.5 mt -58.03 -44.99 87.66 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.181 -0.607 . . . . 103.21 111.453 -175.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.88 -30.16 70.26 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.292 -0.963 . . . . 103.62 111.459 177.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . 0.522 ' HA ' HD23 ' B' ' 15' ' ' LEU . 31.3 tptt -75.08 -35.75 61.78 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.609 -0.436 . . . . 128.36 111.522 172.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.8 p -65.41 -40.38 93.32 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.633 -0.827 . . . . 97.7 111.376 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . 0.811 ' NH2' ' O ' ' A' ' 84' ' ' GLY . 5.5 mmm180 -122.0 -5.52 9.01 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 115.161 1.541 . . . . 90.21 115.161 -163.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 m -129.34 -35.92 1.74 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.145 -1.022 . . . . 90.32 113.674 -177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 11' ' ' LYS . 1.3 mm? -47.99 -33.29 7.64 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.072 0.767 . . . . 101.4 113.072 -172.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . 0.469 ' CD ' ' H ' ' B' ' 16' ' ' GLN . 0.6 OUTLIER -62.8 -25.34 68.19 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 121.009 -0.276 . . . . 98.36 111.702 -176.294 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -125.37 -5.42 7.17 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.793 1.405 . . . . 86.23 114.793 -172.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -144.44 137.69 27.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.905 0.775 . . . . 94.87 110.1 -173.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 p -111.89 172.13 7.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.206 -1.035 . . . . 100.86 108.206 160.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' VAL . . . . . 0.636 HG11 ' HB1' ' A' ' 101' ' ' ALA . 3.0 t -135.09 -42.61 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 118.098 -1.441 . . . . 120.4 113.163 -170.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.52 149.16 8.24 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.222 0.534 . . . . 149.07 110.931 -171.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -49.41 127.55 15.42 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.572 -0.74 . . . . 156.15 111.325 -175.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.05 18.91 76.8 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 114.811 0.684 . . . . 133.12 114.811 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.38 155.35 46.95 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 118.143 0.971 . . . . 122.12 112.512 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -67.74 156.14 67.19 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 CA-C-O 121.962 0.734 . . . . 103.62 111.225 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -80.71 157.85 25.74 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.018 -0.992 . . . . 115.54 109.941 168.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -126.72 -155.34 0.68 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.557 -1.645 . . . . 100.34 106.557 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -55.78 -32.12 31.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 118.648 -1.221 . . . . 90.36 109.71 165.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.83 157.07 15.18 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.76 -0.536 . . . . 84.67 111.76 172.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PRO . . . . . 0.45 ' HG3' ' CE2' ' B' ' 48' ' ' TYR . 58.2 Cg_endo -68.62 153.52 73.28 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 CA-C-O 121.8 0.667 . . . . 99.7 112.04 -174.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -63.41 149.19 46.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.878 -1.055 . . . . 104.71 109.242 170.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . 0.458 ' HB2' HG22 ' B' ' 20' ' ' VAL . 36.3 mt -111.66 18.77 18.7 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.771 0.656 . . . . 119.04 112.771 -168.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.02 114.24 2.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 117.923 0.329 . . . . 137.94 111.018 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.15 54.54 36.71 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-O 120.065 -0.297 . . . . 135.02 113.741 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' HD11 ' B' ' 58' ' ' LEU . 5.0 tp -64.44 -18.61 23.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 117.311 0.555 . . . . 112.34 110.976 178.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -86.19 154.85 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 154.09 109.604 171.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.69 -57.99 2.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.507 -0.854 . . . . 158.44 112.777 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -71.17 119.82 15.85 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.298 -0.63 . . . . 176.45 109.298 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HIS . . . . . 0.705 ' HB3' ' HG3' ' B' ' 42' ' ' GLN . 1.8 t-80 -54.32 155.18 3.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.493 0.664 . . . . 158.62 111.094 -171.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 5.6 p -72.39 146.42 47.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.606 0.717 . . . . 140.91 111.112 -173.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.09 28.47 73.57 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 115.468 -0.787 . . . . 109.91 113.567 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' B' ' 39' ' ' HIS . 27.7 mm-40 -131.53 55.33 1.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 117.707 0.754 . . . . 128.26 110.145 -173.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.51 121.99 43.45 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.409 -0.96 . . . . 111.14 108.409 172.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.39 150.37 47.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.716 -0.794 . . . . 155.3 110.074 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.85 6.67 88.2 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.525 -0.761 . . . . 111.21 114.331 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -158.54 116.61 2.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.851 -1.166 . . . . 107.72 107.851 -177.715 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -101.39 137.33 39.87 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.297 -0.631 . . . . 133.94 109.297 173.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' B' ' 30' ' ' PRO . 5.7 m-85 -90.1 177.89 6.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.864 0.84 . . . . 109.09 110.712 -165.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . 0.426 ' OG1' ' O2D' ' B' ' 201' ' ' HEM . 68.2 p -66.11 159.86 25.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.569 -0.741 . . . . 89.95 109.314 163.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -78.39 18.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.81 -0.756 . . . . 123.72 111.693 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.11 -30.3 58.18 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.651 -0.42 . . . . 119.24 111.519 169.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASN . . . . . 0.759 ' OD1' ' ND2' ' B' ' 56' ' ' ASN . 47.8 t30 -57.24 -16.97 9.6 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.237 0.458 . . . . 141.44 112.237 176.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mt -87.1 -26.93 5.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 112.468 0.544 . . . . 113.18 112.468 -175.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -81.72 -50.05 9.73 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.02 -0.672 . . . . 132.99 111.004 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -114.63 113.35 24.24 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.364 -0.976 . . . . 133.98 108.364 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASN . . . . . 0.759 ' ND2' ' OD1' ' B' ' 52' ' ' ASN . 22.0 t-20 -155.6 81.46 1.03 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.832 -0.747 . . . . 160.12 111.025 175.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 t -116.15 133.28 63.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.551 -1.648 . . . . 144.99 106.551 161.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . 0.46 HD12 ' H ' ' B' ' 59' ' ' TRP . 22.1 tp -62.08 144.47 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.379 0.609 . . . . 148.17 111.364 -170.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TRP . . . . . 0.627 ' HB3' ' HB2' ' B' ' 64' ' ' MET . 1.2 m95 -67.89 158.65 32.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.039 0.923 . . . . 145.91 111.251 -174.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -140.52 -162.02 1.29 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.542 -1.281 . . . . 144.1 107.542 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -68.32 -27.02 65.92 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.485 -0.486 . . . . 149.62 111.685 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -104.55 -63.22 1.23 Allowed 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.425 0.528 . . . . 151.66 112.425 -171.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -67.31 -15.02 63.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.846 0.684 . . . . 153.16 112.846 -169.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' MET . . . . . 0.627 ' HB2' ' HB3' ' B' ' 59' ' ' TRP . 15.3 ttp -75.01 -41.1 60.09 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 118.788 -1.165 . . . . 140.16 110.841 172.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . 0.404 ' HA ' HD13 ' B' ' 68' ' ' LEU . 13.7 t -47.59 -34.17 7.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.789 -0.364 . . . . 124.04 111.547 176.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.69 -34.62 78.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.412 -0.515 . . . . 127.92 111.108 172.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' B' ' 64' ' ' MET . 56.9 t80 -67.92 -33.59 74.99 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.001 -0.679 . . . . 116.39 111.601 179.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 64' ' ' MET . 3.2 mp -80.7 0.78 32.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.18 0.808 . . . . 105.52 113.18 176.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' THR . . . . . 0.4 HG22 ' NE ' ' A' ' 91' ' ' ARG . 70.4 p -75.33 -47.3 28.37 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.768 -0.773 . . . . 104.36 110.446 170.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ASN . . . . . 0.568 ' HB2' ' HD2' ' A' ' 79' ' ' LYS . 49.8 t-20 -146.2 79.38 10.78 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 109.083 -0.71 . . . . 102.83 109.083 173.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.83 -25.92 52.7 Favored 'Trans proline' 0 C--O 1.237 0.438 0 CA-C-O 119.456 -0.31 . . . . 91.2 112.628 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . 0.556 ' O ' HG22 ' B' ' 75' ' ' ILE . . . -67.55 -21.88 65.43 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.474 0.546 . . . . 75.6 112.474 179.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . 0.403 ' HB2' ' ND2' ' B' ' 70' ' ' ASN . 9.9 tttp -56.78 -30.43 63.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.196 0.453 . . . . 111.21 111.469 175.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.3 -8.03 40.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.254 0.835 . . . . 97.45 113.254 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . 0.556 HG22 ' O ' ' B' ' 72' ' ' ALA . 2.0 tp -82.76 129.36 62.41 Favored Pre-proline 0 C--O 1.242 0.705 0 CA-C-N 119.193 0.906 . . . . 90.27 108.9 -178.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -72.58 148.08 46.93 Favored 'Trans proline' 0 C--N 1.332 -0.322 0 C-N-CA 120.475 0.783 . . . . 93.17 112.868 -169.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.12 -5.18 84.87 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.988 -1.005 . . . . 82.64 114.598 -173.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -72.67 -36.23 67.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 118.216 1.008 . . . . 75.87 111.543 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' B' ' 302' ' ' HOH . 20.3 mmtp -58.3 -56.23 24.79 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.343 -0.543 . . . . 91.4 110.641 173.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' MET . . . . . . . . . . . . . 34.3 mtp -62.6 -21.59 65.74 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.339 0.866 . . . . 85.86 113.339 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.02 -56.24 11.55 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.93 0.715 . . . . 77.85 112.93 -166.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -108.28 41.99 1.46 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.993 0.517 . . . . 53.53 109.872 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.19 41.43 Favored Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 116.2 1.24 . . . . 47.88 116.2 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.19 133.82 28.82 Favored Glycine 0 C--O 1.237 0.333 0 CA-C-N 118.527 1.163 . . . . 48.9 111.374 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . 0.559 HD11 HD13 ' B' ' 94' ' ' LEU . 22.0 mt -119.31 112.28 19.25 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.742 -0.836 . . . . 57.02 108.742 178.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -71.91 -36.89 70.12 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.398 -0.521 . . . . 95.4 112.021 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.73 131.15 34.22 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.66 -0.65 . . . . 87.0 110.54 -173.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -65.72 -34.63 78.63 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.249 0.463 . . . . 89.8 112.249 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -63.61 -33.5 75.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.952 -0.699 . . . . 86.81 111.342 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.39 -45.6 83.38 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.597 -0.441 . . . . 69.1 111.24 172.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -62.56 -38.99 92.24 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.227 -0.589 . . . . 56.97 111.016 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -58.49 -48.71 79.92 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.793 0.294 . . . . 65.28 111.793 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -68.43 -40.95 81.01 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.447 -0.901 . . . . 56.34 110.695 -177.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . 0.559 HD13 HD11 ' B' ' 85' ' ' LEU . 6.4 tt -62.91 -44.06 97.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.456 -0.897 . . . . 42.16 110.934 177.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.04 -39.19 83.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 120.735 -0.386 . . . . 51.64 110.046 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.3 m -54.79 -50.38 68.65 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.667 -0.413 . . . . 59.44 110.737 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.56 -45.37 87.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.254 -0.978 . . . . 60.35 111.516 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 tp -67.01 -35.77 80.66 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.257 -0.577 . . . . 42.16 111.619 -169.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 301' ' ' HOH . 14.1 tptm -57.2 -41.86 80.16 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.627 -0.429 . . . . 70.41 111.244 179.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.72 -37.23 30.97 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.17 -1.012 . . . . 87.77 112.408 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.37 -30.69 66.43 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.039 -0.664 . . . . 49.41 111.745 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -91.13 -8.9 47.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.14 0.793 . . . . 49.05 113.14 -177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--N 1.325 -0.489 0 C-N-CA 116.405 -2.118 . . . . 89.8 111.319 -173.622 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' 6UZ . . . . . 0.491 ' O2 ' ' O4 ' ' A' ' 202' ' ' 6UZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' SO4 . . . . . 0.44 ' O2 ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HEM . . . . . 0.451 HAA1 ' CZ2' ' B' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' 6UZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.65 ' O ' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . 0.555 ' O ' ' NZ ' ' B' ' 99' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . 0.423 ' O ' ' O ' ' B' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 112.565 -0.214 . . . . 84.38 112.565 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -89.26 105.26 17.68 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.099 -1.074 . . . . 69.03 108.099 169.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.03 68.79 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 118.684 -1.206 . . . . 61.14 111.232 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -66.36 -46.87 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.774 -0.37 . . . . 57.11 111.147 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -67.15 -32.3 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 117.852 -1.539 . . . . 97.73 111.886 172.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.19 99.89 Favored Glycine 0 N--CA 1.465 0.571 0 C-N-CA 119.745 -1.217 . . . . 42.13 113.614 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -55.44 -46.26 76.75 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 122.032 -0.687 . . . . 43.86 111.318 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.6 m -68.25 -38.31 81.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.684 -0.407 . . . . 57.04 110.852 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.8 mt -58.39 -44.25 88.85 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 119.482 -0.887 . . . . 48.57 111.241 172.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 38.6 t80 -66.32 -38.18 87.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 118.011 -1.475 . . . . 49.71 110.629 -176.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HD2' HD22 ' A' ' 15' ' ' LEU . 9.8 mmtm -62.23 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 118.598 -1.241 . . . . 55.83 111.719 -176.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.0 p -92.08 -17.81 24.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 119.397 -0.921 . . . . 54.06 113.308 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -116.08 -21.0 9.65 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 115.005 1.483 . . . . 55.75 115.005 -173.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.02 -34.99 2.5 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.466 1.03 . . . . 36.07 111.648 -170.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD22 ' HD2' ' A' ' 11' ' ' LYS . 46.0 tp -61.24 -25.52 67.12 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.02 0.748 . . . . 51.6 113.02 -172.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -60.37 -22.82 63.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.522 -0.871 . . . . 57.99 112.335 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.4 m -124.83 -5.02 7.52 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 115.328 1.603 . . . . 36.38 115.328 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -139.36 141.05 37.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.78 1.173 . . . . 37.0 111.57 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -103.77 165.38 11.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.202 1.001 . . . . 39.11 108.423 162.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 11.1 t -128.19 -16.15 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.042 -0.981 . . . . 42.09 110.957 -172.216 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -77.94 154.5 31.56 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.818 0.818 . . . . 70.93 110.846 -168.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -61.54 132.33 53.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.254 -0.885 . . . . 82.95 110.36 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.05 60.56 Favored Glycine 0 C--O 1.241 0.554 0 N-CA-C 115.617 1.007 . . . . 51.25 115.617 -172.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 153.53 33.14 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 119.049 1.424 . . . . 47.05 111.429 -177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.68 158.53 50.42 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 118.097 0.948 . . . . 41.05 110.895 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -78.17 156.14 30.03 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.593 -1.185 . . . . 37.95 108.853 165.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.89 -144.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.827 -1.545 . . . . 46.42 106.827 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.7 t -53.9 -39.7 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 118.142 -1.423 . . . . 36.11 110.657 171.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.69 168.48 12.65 Favored Glycine 0 C--N 1.338 0.691 0 O-C-N 121.642 -0.661 . . . . 31.06 111.559 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.02 151.98 35.63 Favored 'Trans proline' 0 C--N 1.326 -0.613 0 CA-C-O 121.567 0.57 . . . . 32.5 112.734 -172.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.84 135.84 29.16 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 114.877 -1.056 . . . . 36.87 109.932 165.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -101.36 6.34 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.821 0.675 . . . . 44.37 112.821 -171.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.65 ' ND1' ' O ' ' A' ' 302' ' ' HOH . 84.3 t60 -55.64 132.21 48.34 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 119.879 -0.728 . . . . 63.7 109.643 179.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.24 11.89 79.57 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 115.877 1.111 . . . . 49.1 115.877 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 tp -56.56 -39.13 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 118.696 1.248 . . . . 44.31 111.895 -172.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -74.8 141.46 44.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 118.607 -1.237 . . . . 52.73 110.561 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.57 65.92 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.578 -1.296 . . . . 84.03 115.76 -171.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.47 165.06 17.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.22 1.51 . . . . 65.51 108.404 162.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -83.04 155.56 23.85 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.288 -0.965 . . . . 50.2 110.251 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 p -58.01 146.63 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.303 -0.862 . . . . 40.88 110.272 172.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.18 22.07 66.23 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 115.657 1.023 . . . . 40.48 115.657 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -119.56 0.66 11.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 116.535 2.05 . . . . 50.15 116.535 -171.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.75 132.63 54.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 120.264 1.393 . . . . 40.29 110.427 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HA ' ' O2 ' ' A' ' 204' ' ' SO4 . 28.4 tt0 -65.73 135.99 55.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.976 -0.557 . . . . 104.74 111.802 175.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.36 -0.01 88.48 Favored Glycine 0 CA--C 1.504 -0.6 0 N-CA-C 115.138 0.815 . . . . 39.87 115.138 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -122.68 134.6 54.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 118.861 1.33 . . . . 38.78 108.072 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.8 t -112.24 125.78 54.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.403 -1.332 . . . . 35.82 107.403 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -96.03 167.97 10.9 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 124.887 1.275 . . . . 37.26 111.166 -164.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 p -68.62 176.11 3.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 116.844 -1.942 . . . . 37.37 108.804 167.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -77.04 -0.86 26.18 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 118.48 -1.288 . . . . 61.73 113.531 177.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.6 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.501 -0.88 . . . . 53.82 112.317 -176.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -76.85 -11.4 59.82 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 116.545 -2.062 . . . . 51.32 112.772 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mt -63.09 -52.93 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 119.549 -0.86 . . . . 60.09 110.105 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -87.19 -7.2 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 114.312 1.227 . . . . 86.85 114.312 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -128.01 66.4 1.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.466 -1.309 . . . . 90.16 107.466 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -96.57 135.05 39.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.378 -0.601 . . . . 64.75 109.378 -170.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 m -136.37 157.79 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.237 1.018 . . . . 52.66 110.765 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.1 tp -93.84 108.43 20.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.496 -1.668 . . . . 55.26 106.496 165.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -63.07 124.57 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.598 -0.274 . . . . 41.69 110.856 -170.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -137.47 -172.59 3.26 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 106.765 -1.569 . . . . 52.84 106.765 168.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.6 mp0 -75.74 -26.62 57.61 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 119.423 -0.911 . . . . 70.85 112.312 -173.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -69.06 -57.66 5.13 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 117.74 0.245 . . . . 57.84 111.646 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -71.26 -28.32 64.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 118.686 -1.205 . . . . 47.12 112.589 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.9 tpp -60.25 -45.69 92.37 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.918 -1.113 . . . . 70.74 110.935 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -63.77 -40.08 95.8 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.845 -0.742 . . . . 59.55 110.722 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -62.28 -48.54 79.44 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.842 -0.343 . . . . 83.18 111.076 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -56.92 -45.92 82.36 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.725 -0.216 . . . . 44.6 110.43 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD13 HD23 ' B' ' 94' ' ' LEU . 79.8 mt -75.67 -9.77 58.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 112.478 0.547 . . . . 48.15 112.478 -172.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 m -65.42 -23.23 66.9 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.058 -1.057 . . . . 63.68 110.939 167.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -170.62 74.54 0.58 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 118.306 0.503 . . . . 61.63 112.198 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -68.42 -26.42 34.75 Favored 'Trans proline' 0 C--O 1.24 0.617 0 CA-C-N 119.046 0.695 . . . . 43.98 113.9 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.73 -30.08 71.22 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.043 -0.663 . . . . 53.25 112.383 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -65.86 -16.3 63.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.129 -1.029 . . . . 81.05 112.113 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -94.08 -7.01 43.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.207 0.818 . . . . 71.0 113.207 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.6 mm -76.16 119.57 77.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 106.646 -1.612 . . . . 52.27 106.646 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.5 135.04 62.05 Favored 'Trans proline' 0 C--N 1.33 -0.408 0 CA-C-N 119.392 0.819 . . . . 60.24 111.172 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.22 -16.17 61.84 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-O 118.757 -1.024 . . . . 68.13 115.558 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.3 p -64.46 -35.69 81.75 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.065 1.432 . . . . 57.38 111.086 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.568 ' HD2' ' HB2' ' B' ' 70' ' ' ASN . 25.1 mtmm -70.05 -39.77 75.5 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 119.048 -1.061 . . . . 84.06 110.972 177.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.4 mtp -65.85 -21.73 66.49 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.5 0.556 . . . . 93.51 112.5 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.56 -45.51 69.93 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 111.854 0.316 . . . . 73.34 111.854 -172.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -109.08 32.01 5.26 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.406 0.521 . . . . 80.84 112.406 -174.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.19 25.73 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.172 -0.794 . . . . 80.2 114.941 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.811 ' O ' ' NH2' ' B' ' 13' ' ' ARG . . . -68.35 135.63 29.53 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 118.57 1.185 . . . . 77.74 110.877 171.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD11 HBB1 ' B' ' 201' ' ' HEM . 6.5 mp -122.59 132.69 54.41 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.372 -0.973 . . . . 96.46 108.372 170.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -76.99 -67.92 0.66 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.655 0.597 . . . . 111.24 111.268 -172.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -66.21 141.72 57.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.195 0.522 . . . . 131.38 110.949 -170.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.38 -35.47 79.39 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.854 -0.612 . . . . 137.22 111.791 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -74.26 5.48 4.45 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 118.142 -1.423 . . . . 142.31 112.897 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.07 -37.91 7.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 119.249 0.931 . . . . 131.39 112.939 174.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.423 ' O ' HG22 ' A' ' 95' ' ' ILE . 2.6 mtt85 -62.08 -52.39 64.08 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.545 -0.862 . . . . 109.23 110.49 168.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -55.5 -31.85 62.37 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.879 -0.328 . . . . 137.24 111.298 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.62 -40.93 93.13 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.325 -0.55 . . . . 147.11 110.944 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.733 HD21 ' HA2' ' B' ' 6' ' ' GLY . 1.5 mm? -105.16 -10.93 16.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 114.982 1.475 . . . . 123.28 114.982 -168.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 91' ' ' ARG . 6.4 tt -75.44 -32.76 25.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 117.896 -1.521 . . . . 153.06 109.826 169.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.6 p -64.47 -26.52 68.48 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.051 -0.66 . . . . 153.88 111.516 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.59 ' O ' ' N ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -75.63 -44.88 40.5 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.456 -0.898 . . . . 156.34 110.21 167.467 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -49.99 -24.76 2.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.301 -0.56 . . . . 133.77 111.62 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -75.53 -31.86 60.26 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.226 0.454 . . . . 154.53 112.226 170.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.59 ' N ' ' O ' ' A' ' 97' ' ' TYR . 86.1 mttt -72.86 -50.39 24.2 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.718 -0.393 . . . . 139.63 111.184 179.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.636 ' HB1' HG11 ' B' ' 20' ' ' VAL . . . -71.36 -20.99 62.09 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.712 0.634 . . . . 138.7 112.712 -175.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 m -59.78 -47.07 87.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.337 -0.545 . . . . 160.41 110.657 168.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 109.666 -0.494 . . . . 181.67 109.666 173.107 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -3' ' ' PHE . . . . . 0.412 ' C ' ' HD3' ' B' ' -2' ' ' LYS . 13.6 p90 . . . . . 0 CA--C 1.527 0.095 0 N-CA-C 113.078 0.77 . . . . 148.69 113.078 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -2' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' B' ' -3' ' ' PHE . 2.6 mmtm -125.75 134.72 51.66 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.086 -0.709 . . . . 144.92 109.086 169.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' -1' ' ' ALA . . . . . . . . . . . . . . . 45.72 -151.59 0.06 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.379 1.072 . . . . 146.47 113.848 168.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 148.38 179.44 24.33 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.041 -1.224 . . . . 153.57 110.041 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -86.09 145.26 27.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.657 -0.772 . . . . 132.03 110.68 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.83 -35.01 13.62 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.898 0.703 . . . . 150.33 112.898 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.431 ' O ' HG23 ' B' ' 8' ' ' THR . 27.4 tttp -71.13 -46.32 61.82 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.73 -0.788 . . . . 158.41 111.025 -176.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -65.13 -19.45 65.99 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.334 -0.946 . . . . 136.01 111.133 168.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.733 ' HA2' HD21 ' A' ' 94' ' ' LEU . . . -54.35 -60.04 9.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.808 -0.234 . . . . 135.03 112.64 171.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.95 -39.58 71.95 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.425 -0.51 . . . . 146.67 111.125 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 4' ' ' LYS . 17.4 p -66.07 -55.34 17.06 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.416 -0.513 . . . . 137.79 110.999 -179.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.43 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . 1.5 mt -58.03 -44.99 87.66 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.181 -0.607 . . . . 103.21 111.453 -175.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -66.88 -30.16 70.26 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.292 -0.963 . . . . 103.62 111.459 177.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.522 ' HA ' HD23 ' B' ' 15' ' ' LEU . 31.3 tptt -75.08 -35.75 61.78 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.609 -0.436 . . . . 128.36 111.522 172.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.8 p -65.41 -40.38 93.32 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.633 -0.827 . . . . 97.7 111.376 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.811 ' NH2' ' O ' ' A' ' 84' ' ' GLY . 5.5 mmm180 -122.0 -5.52 9.01 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 115.161 1.541 . . . . 90.21 115.161 -163.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 m -129.34 -35.92 1.74 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.145 -1.022 . . . . 90.32 113.674 -177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 11' ' ' LYS . 1.3 mm? -47.99 -33.29 7.64 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.072 0.767 . . . . 101.4 113.072 -172.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.469 ' CD ' ' H ' ' B' ' 16' ' ' GLN . 0.6 OUTLIER -62.8 -25.34 68.19 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 121.009 -0.276 . . . . 98.36 111.702 -176.294 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 73.1 m -125.37 -5.42 7.17 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.793 1.405 . . . . 86.23 114.793 -172.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -144.44 137.69 27.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.905 0.775 . . . . 94.87 110.1 -173.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 p -111.89 172.13 7.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.206 -1.035 . . . . 100.86 108.206 160.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.636 HG11 ' HB1' ' A' ' 101' ' ' ALA . 3.0 t -135.09 -42.61 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 118.098 -1.441 . . . . 120.4 113.163 -170.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.52 149.16 8.24 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.222 0.534 . . . . 149.07 110.931 -171.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -49.41 127.55 15.42 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.572 -0.74 . . . . 156.15 111.325 -175.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.05 18.91 76.8 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 114.811 0.684 . . . . 133.12 114.811 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.38 155.35 46.95 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 118.143 0.971 . . . . 122.12 112.512 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -67.74 156.14 67.19 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 CA-C-O 121.962 0.734 . . . . 103.62 111.225 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -80.71 157.85 25.74 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.018 -0.992 . . . . 115.54 109.941 168.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -126.72 -155.34 0.68 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.557 -1.645 . . . . 100.34 106.557 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -55.78 -32.12 31.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 118.648 -1.221 . . . . 90.36 109.71 165.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.83 157.07 15.18 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.76 -0.536 . . . . 84.67 111.76 172.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.45 ' HG3' ' CE2' ' B' ' 48' ' ' TYR . 58.2 Cg_endo -68.62 153.52 73.28 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 CA-C-O 121.8 0.667 . . . . 99.7 112.04 -174.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -63.41 149.19 46.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.878 -1.055 . . . . 104.71 109.242 170.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.458 ' HB2' HG22 ' B' ' 20' ' ' VAL . 36.3 mt -111.66 18.77 18.7 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.771 0.656 . . . . 119.04 112.771 -168.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.02 114.24 2.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 117.923 0.329 . . . . 137.94 111.018 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.15 54.54 36.71 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-O 120.065 -0.297 . . . . 135.02 113.741 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' HD11 ' B' ' 58' ' ' LEU . 5.0 tp -64.44 -18.61 23.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 117.311 0.555 . . . . 112.34 110.976 178.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -86.19 154.85 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 154.09 109.604 171.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.69 -57.99 2.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.507 -0.854 . . . . 158.44 112.777 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -71.17 119.82 15.85 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.298 -0.63 . . . . 176.45 109.298 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.705 ' HB3' ' HG3' ' B' ' 42' ' ' GLN . 1.8 t-80 -54.32 155.18 3.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.493 0.664 . . . . 158.62 111.094 -171.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 5.6 p -72.39 146.42 47.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.606 0.717 . . . . 140.91 111.112 -173.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.09 28.47 73.57 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 115.468 -0.787 . . . . 109.91 113.567 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' B' ' 39' ' ' HIS . 27.7 mm-40 -131.53 55.33 1.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 117.707 0.754 . . . . 128.26 110.145 -173.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.51 121.99 43.45 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.409 -0.96 . . . . 111.14 108.409 172.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.39 150.37 47.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.716 -0.794 . . . . 155.3 110.074 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.85 6.67 88.2 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.525 -0.761 . . . . 111.21 114.331 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -158.54 116.61 2.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.851 -1.166 . . . . 107.72 107.851 -177.715 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -101.39 137.33 39.87 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.297 -0.631 . . . . 133.94 109.297 173.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' B' ' 30' ' ' PRO . 5.7 m-85 -90.1 177.89 6.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.864 0.84 . . . . 109.09 110.712 -165.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . 0.426 ' OG1' ' O2D' ' B' ' 201' ' ' HEM . 68.2 p -66.11 159.86 25.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.569 -0.741 . . . . 89.95 109.314 163.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -78.39 18.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.81 -0.756 . . . . 123.72 111.693 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.11 -30.3 58.18 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.651 -0.42 . . . . 119.24 111.519 169.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.759 ' OD1' ' ND2' ' B' ' 56' ' ' ASN . 47.8 t30 -57.24 -16.97 9.6 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.237 0.458 . . . . 141.44 112.237 176.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mt -87.1 -26.93 5.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 112.468 0.544 . . . . 113.18 112.468 -175.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -81.72 -50.05 9.73 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.02 -0.672 . . . . 132.99 111.004 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -114.63 113.35 24.24 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.364 -0.976 . . . . 133.98 108.364 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.759 ' ND2' ' OD1' ' B' ' 52' ' ' ASN . 22.0 t-20 -155.6 81.46 1.03 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.832 -0.747 . . . . 160.12 111.025 175.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 t -116.15 133.28 63.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.551 -1.648 . . . . 144.99 106.551 161.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.46 HD12 ' H ' ' B' ' 59' ' ' TRP . 22.1 tp -62.08 144.47 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.379 0.609 . . . . 148.17 111.364 -170.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.627 ' HB3' ' HB2' ' B' ' 64' ' ' MET . 1.2 m95 -67.89 158.65 32.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.039 0.923 . . . . 145.91 111.251 -174.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -140.52 -162.02 1.29 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.542 -1.281 . . . . 144.1 107.542 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -68.32 -27.02 65.92 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.485 -0.486 . . . . 149.62 111.685 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -104.55 -63.22 1.23 Allowed 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.425 0.528 . . . . 151.66 112.425 -171.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -67.31 -15.02 63.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.846 0.684 . . . . 153.16 112.846 -169.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' MET . . . . . 0.627 ' HB2' ' HB3' ' B' ' 59' ' ' TRP . 15.3 ttp -75.01 -41.1 60.09 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 118.788 -1.165 . . . . 140.16 110.841 172.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . 0.404 ' HA ' HD13 ' B' ' 68' ' ' LEU . 13.7 t -47.59 -34.17 7.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.789 -0.364 . . . . 124.04 111.547 176.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.69 -34.62 78.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.412 -0.515 . . . . 127.92 111.108 172.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' B' ' 64' ' ' MET . 56.9 t80 -67.92 -33.59 74.99 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.001 -0.679 . . . . 116.39 111.601 179.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 64' ' ' MET . 3.2 mp -80.7 0.78 32.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.18 0.808 . . . . 105.52 113.18 176.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' THR . . . . . 0.4 HG22 ' NE ' ' A' ' 91' ' ' ARG . 70.4 p -75.33 -47.3 28.37 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.768 -0.773 . . . . 104.36 110.446 170.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.568 ' HB2' ' HD2' ' A' ' 79' ' ' LYS . 49.8 t-20 -146.2 79.38 10.78 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 109.083 -0.71 . . . . 102.83 109.083 173.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.83 -25.92 52.7 Favored 'Trans proline' 0 C--O 1.237 0.438 0 CA-C-O 119.456 -0.31 . . . . 91.2 112.628 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.556 ' O ' HG22 ' B' ' 75' ' ' ILE . . . -67.55 -21.88 65.43 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.474 0.546 . . . . 75.6 112.474 179.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.403 ' HB2' ' ND2' ' B' ' 70' ' ' ASN . 9.9 tttp -56.78 -30.43 63.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.196 0.453 . . . . 111.21 111.469 175.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.3 -8.03 40.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.254 0.835 . . . . 97.45 113.254 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.556 HG22 ' O ' ' B' ' 72' ' ' ALA . 2.0 tp -82.76 129.36 62.41 Favored Pre-proline 0 C--O 1.242 0.705 0 CA-C-N 119.193 0.906 . . . . 90.27 108.9 -178.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -72.58 148.08 46.93 Favored 'Trans proline' 0 C--N 1.332 -0.322 0 C-N-CA 120.475 0.783 . . . . 93.17 112.868 -169.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.12 -5.18 84.87 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.988 -1.005 . . . . 82.64 114.598 -173.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -72.67 -36.23 67.86 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 118.216 1.008 . . . . 75.87 111.543 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' B' ' 302' ' ' HOH . 20.3 mmtp -58.3 -56.23 24.79 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.343 -0.543 . . . . 91.4 110.641 173.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' MET . . . . . . . . . . . . . 34.3 mtp -62.6 -21.59 65.74 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 113.339 0.866 . . . . 85.86 113.339 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.02 -56.24 11.55 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.93 0.715 . . . . 77.85 112.93 -166.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -108.28 41.99 1.46 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.993 0.517 . . . . 53.53 109.872 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.19 41.43 Favored Glycine 0 CA--C 1.508 -0.355 0 N-CA-C 116.2 1.24 . . . . 47.88 116.2 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.19 133.82 28.82 Favored Glycine 0 C--O 1.237 0.333 0 CA-C-N 118.527 1.163 . . . . 48.9 111.374 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.559 HD11 HD13 ' B' ' 94' ' ' LEU . 22.0 mt -119.31 112.28 19.25 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.742 -0.836 . . . . 57.02 108.742 178.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -71.91 -36.89 70.12 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.398 -0.521 . . . . 95.4 112.021 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.73 131.15 34.22 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.66 -0.65 . . . . 87.0 110.54 -173.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -65.72 -34.63 78.63 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.249 0.463 . . . . 89.8 112.249 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -63.61 -33.5 75.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.952 -0.699 . . . . 86.81 111.342 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.39 -45.6 83.38 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.597 -0.441 . . . . 69.1 111.24 172.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -62.56 -38.99 92.24 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.227 -0.589 . . . . 56.97 111.016 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -58.49 -48.71 79.92 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.793 0.294 . . . . 65.28 111.793 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -68.43 -40.95 81.01 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.447 -0.901 . . . . 56.34 110.695 -177.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.559 HD13 HD11 ' B' ' 85' ' ' LEU . 6.4 tt -62.91 -44.06 97.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.456 -0.897 . . . . 42.16 110.934 177.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.04 -39.19 83.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 120.735 -0.386 . . . . 51.64 110.046 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.3 m -54.79 -50.38 68.65 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.667 -0.413 . . . . 59.44 110.737 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -64.56 -45.37 87.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.254 -0.978 . . . . 60.35 111.516 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 tp -67.01 -35.77 80.66 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.257 -0.577 . . . . 42.16 111.619 -169.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 301' ' ' HOH . 14.1 tptm -57.2 -41.86 80.16 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.627 -0.429 . . . . 70.41 111.244 179.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.72 -37.23 30.97 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.17 -1.012 . . . . 87.77 112.408 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.37 -30.69 66.43 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.039 -0.664 . . . . 49.41 111.745 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -91.13 -8.9 47.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.14 0.793 . . . . 49.05 113.14 -177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--N 1.325 -0.489 0 C-N-CA 116.405 -2.118 . . . . 89.8 111.319 -173.622 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' 6UZ . . . . . 0.491 ' O2 ' ' O4 ' ' A' ' 202' ' ' 6UZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' SO4 . . . . . 0.44 ' O2 ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HEM . . . . . 0.451 HAA1 ' CZ2' ' B' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' 6UZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.65 ' O ' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . 0.555 ' O ' ' NZ ' ' B' ' 99' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . 0.423 ' O ' ' O ' ' B' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_