data_1ave_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 1ave _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 113.155 0.798 . . . . 39.39 113.155 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 108.0 0.36 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.186 1.47 . . . . 54.25 109.854 179.522 -128.188 -84.91 -79.714 98.165 2.035 103.731 -72.682 -168.921 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -112.36 117.95 33.86 Favored 'General case' 0 C--O 1.206 -1.224 0 O-C-N 119.861 -1.774 . . . . 84.18 111.402 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -31.02 66.72 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 117.778 -1.569 . . . . 57.47 114.012 179.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . 0.453 ' O ' ' NH2' ' A' ' 122' ' ' ARG 0.297 54.8 m -50.1 130.89 23.07 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 112.788 -2.006 . . . . 45.08 115.227 -176.942 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.64 -152.7 19.94 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 120.067 -1.063 . . . . 31.31 114.715 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -125.83 130.39 51.3 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 113.04 -1.58 . . . . 90.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -127.46 160.53 31.19 Favored 'General case' 0 CA--C 1.467 -2.24 0 O-C-N 126.114 2.134 . . . . 39.99 111.645 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.284 1.6 t -130.68 160.91 32.86 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 111.529 -2.578 . . . . 32.14 112.605 173.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . 0.665 0.9 OUTLIER -109.4 172.43 6.86 Favored 'General case' 0 CA--C 1.479 -1.752 0 N-CA-C 116.091 1.885 . . . . 64.67 116.091 -175.678 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -75.61 -20.25 58.68 Favored 'General case' 0 N--CA 1.412 -2.375 0 CA-C-N 111.759 -2.473 . . . . 50.56 110.829 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.26 4.1 mt -97.28 -0.13 47.12 Favored 'General case' 0 C--O 1.269 2.118 0 C-N-CA 113.961 -3.096 . . . . 40.94 107.243 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.21 16.32 47.6 Favored Glycine 0 C--N 1.365 2.175 0 CA-C-O 125.435 2.686 . . . . 27.02 111.766 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 5.1 m -79.17 149.86 31.86 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 118.013 -3.051 . . . . 39.16 110.007 177.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -120.85 151.48 39.58 Favored 'General case' 0 CA--C 1.486 -1.488 0 O-C-N 120.073 -1.642 . . . . 90.0 109.776 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 20' ' ' ILE . 8.2 ptt? -150.0 137.83 20.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.47 1.106 . . . . 31.87 111.767 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' ' CA ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -118.37 123.76 46.08 Favored 'General case' 0 C--O 1.275 2.414 0 CA-C-O 125.405 2.526 . . . . 46.5 110.893 -177.975 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' CD1' ' CE ' ' A' ' 18' ' ' MET . 1.2 mt -118.45 122.62 69.97 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 CA-C-N 110.3 -3.136 . . . . 41.73 116.013 -174.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.93 -153.74 0.01 OUTLIER Glycine 0 C--N 1.35 1.321 0 O-C-N 126.52 2.387 . . . . 42.17 112.246 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.24 146.17 29.66 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-O 116.889 -1.529 . . . . 46.65 108.135 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.35 159.89 2.83 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.505 0 O-C-N 125.979 2.049 . . . . 52.57 111.85 -178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . 0.458 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 7.2 m120 -108.53 -169.01 1.43 Allowed 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 114.508 1.299 . . . . 90.0 114.508 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -70.91 -35.35 72.23 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-N 110.625 -2.989 . . . . 51.43 106.849 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 4.59 30.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 126.072 2.108 . . . . 72.17 111.623 177.687 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.48 21.59 72.61 Favored Glycine 0 CA--C 1.549 2.211 0 C-N-CA 126.328 1.918 . . . . 52.57 116.482 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.494 0.0 OUTLIER -83.42 157.48 22.46 Favored 'General case' 0 CA--C 1.475 -1.911 0 N-CA-C 116.125 1.898 . . . . 90.0 116.125 -179.548 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -164.86 167.29 18.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 112.382 -2.19 . . . . 44.38 110.34 -175.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.92 170.29 20.75 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 105.597 -2.001 . . . . 71.13 105.597 -176.824 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 19' ' ' THR . . . 173.03 -162.86 34.39 Favored Glycine 0 CA--C 1.488 -1.624 0 C-N-CA 116.644 -2.694 . . . . 20.06 106.706 -175.454 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -138.93 154.75 48.37 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 119.223 -0.991 . . . . 25.69 110.076 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -124.71 134.71 52.75 Favored 'General case' 0 C--O 1.263 1.771 0 O-C-N 126.573 2.421 . . . . 26.05 113.275 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.71 102.88 7.8 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-O 126.091 2.853 . . . . 37.27 110.441 170.558 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . 0.61 ' O ' ' CG2' ' A' ' 35' ' ' THR . 14.7 t -83.56 133.01 34.88 Favored 'General case' 0 N--CA 1.4 -2.971 0 O-C-N 119.757 -1.84 . . . . 26.43 110.363 -177.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -66.75 -33.99 76.84 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 126.272 2.233 . . . . 35.24 112.499 176.529 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.62 159.3 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.058 0 CA-C-O 121.746 0.784 . . . . 37.39 110.76 -176.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.68 161.23 38.25 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-O 124.525 2.107 . . . . 53.34 111.272 179.352 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.46 -4.99 16.82 Favored 'General case' 0 CA--C 1.479 -1.773 0 CA-C-N 113.078 -1.874 . . . . 51.67 109.934 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . 0.555 ' CG2' ' CB ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -108.57 145.07 35.4 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 125.154 1.534 . . . . 56.22 112.242 179.672 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 40' ' ' THR . 0.1 OUTLIER -80.46 89.7 5.62 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.257 -2.868 . . . . 54.91 103.257 174.195 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . 0.555 ' CB ' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -176.06 111.87 0.11 Allowed 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 117.49 -1.684 . . . . 81.23 114.767 -176.774 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -27.0 101.98 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.779 2.14 . . . . 53.05 116.779 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.65 143.49 2.47 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 C-N-CA 126.737 2.015 . . . . 40.34 111.519 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -139.54 163.78 31.63 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 125.513 1.525 . . . . 90.0 111.047 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -76.1 131.04 39.19 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 105.413 -2.069 . . . . 61.19 105.413 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 m -131.11 158.27 75.68 Favored Pre-proline 0 N--CA 1.424 -1.75 0 CA-C-O 117.194 -1.384 . . . . 35.66 107.4 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -80.71 153.27 19.97 Favored 'Trans proline' 0 CA--C 1.567 2.172 1 C-N-CA 128.041 5.827 . . . . 21.81 118.476 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 151.28 47.55 Favored 'General case' 0 N--CA 1.412 -2.353 0 O-C-N 120.512 -1.367 . . . . 35.3 108.322 174.326 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -136.42 125.29 24.11 Favored 'General case' 0 N--CA 1.424 -1.761 0 O-C-N 127.024 2.702 . . . . 57.44 104.132 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.46 -150.58 6.52 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 119.472 -1.347 . . . . 39.69 114.996 -175.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.305 0.4 OUTLIER -178.28 146.15 0.37 Allowed 'General case' 0 C--O 1.252 1.231 0 CA-C-N 112.401 -1.9 . . . . 41.8 108.126 -174.757 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.08 124.45 17.92 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-O 123.38 1.562 . . . . 47.64 108.81 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.63 137.8 53.38 Favored 'General case' 0 CA--C 1.462 -2.434 0 CA-C-N 110.66 -2.973 . . . . 55.74 111.974 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.26 10.47 Favored 'General case' 0 CA--C 1.574 1.896 1 O-C-N 129.769 4.418 . . . . 38.23 117.813 177.748 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp -45.81 147.04 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.397 1.079 . . . . 90.0 113.773 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -47.12 92.04 0.01 OUTLIER 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.362 2.265 . . . . 71.39 116.786 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.76 17.84 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 102.461 -3.163 . . . . 67.33 102.461 177.19 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -20.67 -84.51 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 109.319 -3.582 . . . . 90.0 116.326 174.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 m -17.84 -56.89 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.615 1.339 . . . . 69.01 114.615 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -131.44 97.65 19.29 Favored Pre-proline 0 CA--C 1.494 -1.175 0 CA-C-O 124.017 1.865 . . . . 54.23 109.438 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -91.26 159.6 3.76 Favored 'Trans proline' 0 C--N 1.266 -3.805 0 N-CA-C 114.947 1.095 . . . . 33.69 114.947 -175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -93.06 169.58 10.31 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 102.825 -3.028 . . . . 31.3 102.825 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 64' ' ' PHE . 10.0 p90 -168.33 -178.0 3.43 Favored 'General case' 0 N--CA 1.411 -2.385 0 C-N-CA 118.246 -1.381 . . . . 35.39 107.778 -177.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.97 138.81 4.32 Favored Glycine 0 C--O 1.214 -1.153 0 O-C-N 125.39 1.682 . . . . 20.62 115.194 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 79' ' ' PHE . 39.2 p90 -132.56 169.85 16.02 Favored 'General case' 0 N--CA 1.419 -2.02 0 O-C-N 121.473 -1.016 . . . . 20.4 110.715 179.616 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.258 7.7 m -127.94 143.47 51.1 Favored 'General case' 0 CA--C 1.462 -2.422 0 N-CA-C 102.964 -2.976 . . . . 29.78 102.964 -178.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.58 123.85 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.171 0 O-C-N 128.04 3.338 . . . . 19.56 108.084 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.08 85.7 4.4 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 126.798 2.561 . . . . 83.49 113.263 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -48.22 123.08 5.89 Favored 'General case' 0 C--O 1.258 1.542 0 CA-C-O 123.562 1.649 . . . . 41.64 110.732 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -85.19 -10.2 56.93 Favored 'General case' 0 C--O 1.19 -2.053 0 CA-C-N 112.226 -2.261 . . . . 90.0 106.864 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -123.78 23.98 8.54 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 114.201 1.185 . . . . 32.29 114.201 -172.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -166.62 171.43 11.66 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 108.506 -0.924 . . . . 38.82 108.506 179.146 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 73' ' ' SER . 29.0 mt-10 -91.67 5.34 50.1 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.083 -1.047 . . . . 73.81 112.835 -177.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -99.81 172.23 7.38 Favored 'General case' 0 C--O 1.276 2.481 0 CA-C-O 124.143 1.925 . . . . 43.97 115.494 -177.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.5 m -132.88 146.94 52.24 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 109.185 -3.643 . . . . 29.34 110.675 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.6 m -127.68 147.14 50.38 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.399 -0.819 . . . . 32.4 109.513 175.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.69 138.25 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 117.734 -1.586 . . . . 23.33 111.632 174.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . 0.46 ' CD1' ' CE1' ' A' ' 66' ' ' PHE . 62.2 m-85 -119.74 151.69 38.37 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 105.553 -2.018 . . . . 25.67 105.553 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 t -158.37 145.53 17.82 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 103.165 -2.902 . . . . 19.5 103.165 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 176.41 -158.48 24.84 Favored Glycine 0 C--N 1.369 2.362 0 O-C-N 126.178 2.174 . . . . 28.49 112.117 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -130.09 144.16 51.19 Favored 'General case' 0 C--O 1.273 2.292 0 O-C-N 125.259 1.211 . . . . 37.95 112.658 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.4 t -88.87 114.02 25.04 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 126.42 2.325 . . . . 39.72 107.659 172.553 -168.921 -72.682 -79.714 103.731 2.035 98.165 -84.91 -128.188 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.72 161.38 15.46 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-O 123.509 1.623 . . . . 45.46 113.625 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.4 mt -134.06 93.19 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.442 0 C-N-CA 126.271 1.828 . . . . 75.89 106.966 179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -43.45 -57.18 3.21 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 123.812 1.767 . . . . 68.81 113.181 -172.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.87 -60.54 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 111.479 -2.601 . . . . 15.0 106.824 -177.062 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -34.17 -39.63 0.08 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 112.674 -2.057 . . . . 58.28 111.7 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.08 19.86 7.86 Favored Glycine 0 CA--C 1.457 -3.576 0 N-CA-C 103.239 -3.944 . . . . 64.61 103.239 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 124.82 31.82 Favored 'General case' 0 C--N 1.367 1.337 1 O-C-N 130.396 4.233 . . . . 72.73 107.492 177.009 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . 0.494 ' CD ' ' NH1' ' A' ' 122' ' ' ARG . 0.2 OUTLIER -92.43 148.59 21.99 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 106.839 -1.541 . . . . 90.0 106.839 -179.825 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.28 131.54 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.221 0 O-C-N 125.639 1.837 . . . . 47.63 111.858 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -97.85 127.02 43.52 Favored 'General case' 0 CA--C 1.477 -1.851 0 N-CA-C 104.354 -2.461 . . . . 31.15 104.354 178.028 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -114.42 113.92 25.15 Favored 'General case' 0 CA--C 1.464 -2.34 0 N-CA-C 103.155 -2.906 . . . . 86.12 103.155 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.9 p -131.68 157.76 42.9 Favored 'General case' 0 CA--C 1.459 -2.531 0 O-C-N 126.958 2.661 . . . . 23.64 109.981 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.86 140.44 44.15 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 127.997 3.31 . . . . 32.14 106.251 -179.203 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 117' ' ' ILE . 31.1 p-90 -141.04 165.91 26.24 Favored 'General case' 0 C--O 1.275 2.434 0 O-C-N 118.943 -2.348 . . . . 28.28 109.593 -172.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.274 18.5 mt -125.87 120.58 30.85 Favored 'General case' 0 C--O 1.268 2.073 2 C-N-CA 132.187 4.195 . . . . 17.24 109.249 -175.819 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.6 tp -110.05 115.75 30.32 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.034 -0.985 . . . . 25.8 110.743 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.74 127.3 47.21 Favored 'General case' 0 CA--C 1.485 -1.554 0 O-C-N 120.589 -1.319 . . . . 31.79 110.373 -177.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -100.75 161.77 13.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 110.256 -0.276 . . . . 55.95 110.256 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 137.49 32.29 Favored 'General case' 0 C--O 1.195 -1.803 0 C-N-CA 119.746 -0.782 . . . . 71.89 112.503 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.0 m -124.53 156.8 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.364 0 O-C-N 125.086 1.491 . . . . 43.37 109.445 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -93.58 -9.48 37.97 Favored 'General case' 0 C--O 1.251 1.164 1 N-CA-C 121.918 4.044 . . . . 90.0 121.918 -176.32 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -145.07 135.02 23.74 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.802 1.314 . . . . 90.0 108.174 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -41.35 -29.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.847 1.203 . . . . 90.0 109.864 177.381 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -53.9 -29.88 43.7 Favored Glycine 0 CA--C 1.479 -2.179 0 C-N-CA 126.742 2.115 . . . . 42.25 113.666 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -89.6 -18.31 26.79 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 111.695 -2.253 . . . . 55.55 115.001 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -32.53 -39.69 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.337 0 N-CA-C 114.7 1.37 . . . . 34.55 114.7 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . 0.361 30.5 p-90 -44.8 -39.9 5.66 Favored 'General case' 0 C--O 1.264 1.836 0 CA-C-N 112.812 -1.995 . . . . 39.93 115.754 -174.323 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -105.74 17.75 23.25 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 117.08 2.252 . . . . 59.84 117.08 -176.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.51 4.4 49.34 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 115.441 1.645 . . . . 36.88 115.441 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.7 m -125.11 123.32 39.46 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 116.691 2.108 . . . . 33.52 116.691 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.66 153.3 23.61 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 126.588 1.955 . . . . 53.0 107.699 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.14 167.28 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 C-N-CA 122.651 0.38 . . . . 25.39 111.088 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.68 -170.29 37.36 Favored Glycine 0 N--CA 1.428 -1.894 0 O-C-N 120.906 -1.121 . . . . 14.65 111.187 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ILE . . . . . 0.407 ' O ' ' NE1' ' A' ' 97' ' ' TRP . 0.2 OUTLIER -118.19 -174.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 117.909 2.559 . . . . 41.01 117.909 179.992 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -174.92 136.03 0.39 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 111.994 -2.366 . . . . 46.62 113.661 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . 0.262 12.7 mt -114.28 129.77 69.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 CA-C-N 113.264 -1.789 . . . . 41.64 111.671 178.416 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -123.49 134.16 53.94 Favored 'General case' 0 C--O 1.262 1.716 0 CA-C-O 123.378 1.561 . . . . 43.16 112.749 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.8 p -136.37 162.98 31.52 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 102.354 -3.202 . . . . 33.57 102.354 174.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ARG . . . . . 0.494 ' NH1' ' CD ' ' A' ' 91' ' ' GLU 0.452 0.3 OUTLIER -88.78 158.55 18.12 Favored 'General case' 0 CA--C 1.462 -2.416 0 N-CA-C 118.595 2.813 . . . . 47.52 118.595 -177.182 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mt -86.02 119.23 26.09 Favored 'General case' 0 C--N 1.366 1.318 2 O-C-N 131.55 5.531 . . . . 90.0 118.036 -177.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . 0.259 13.1 ptm180 -59.75 169.84 1.28 Allowed 'General case' 0 C--N 1.386 2.156 0 O-C-N 125.838 1.961 . . . . 58.11 112.953 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.944 -0.571 . . . . 29.75 111.595 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . 0.284 20.3 mmmt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 114.33 1.233 . . . . 90.0 114.33 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . 0.423 ' CB ' ' CG ' ' B' ' 91' ' ' GLU 1.03 0.1 OUTLIER -76.36 120.98 22.36 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 119.481 3.141 . . . . 47.46 119.481 -178.941 106.566 98.489 -168.075 110.188 1.915 95.43 -78.213 -178.463 4 4 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p -121.88 146.72 46.83 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 114.245 1.202 . . . . 90.0 114.245 -173.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.3 OUTLIER -70.33 -36.68 74.4 Favored 'General case' 0 C--N 1.344 0.367 0 O-C-N 125.055 1.472 . . . . 44.44 113.872 -179.985 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m -47.61 123.0 5.3 Favored 'General case' 1 C--O 1.306 4.042 0 N-CA-C 114.834 1.42 . . . . 51.64 114.834 -179.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.61 -166.56 25.55 Favored Glycine 0 C--N 1.396 3.869 0 CA-C-O 124.57 2.206 . . . . 43.14 118.245 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 137.73 38.0 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 105.206 -2.146 . . . . 90.0 105.206 175.097 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -140.05 149.62 43.37 Favored 'General case' 0 CA--C 1.465 -2.302 0 N-CA-C 107.008 -1.479 . . . . 59.28 107.008 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -129.39 150.42 50.75 Favored 'General case' 0 C--O 1.262 1.737 0 O-C-N 126.71 2.506 . . . . 36.79 106.819 174.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' B' ' 14' ' ' LEU . 2.8 p-10 -125.61 156.65 38.86 Favored 'General case' 0 CA--C 1.471 -2.07 0 O-C-N 125.246 1.591 . . . . 42.98 110.485 -176.758 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -43.88 7.02 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 119.602 3.186 . . . . 55.89 119.602 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 12' ' ' ASN . 9.4 mt -131.97 9.4 4.52 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 123.459 1.599 . . . . 51.54 108.897 -175.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.41 5.85 89.19 Favored Glycine 0 C--N 1.295 -1.728 0 CA-C-N 113.043 -1.889 . . . . 36.41 113.334 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . 0.353 0.8 OUTLIER -85.04 146.37 27.21 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 115.566 -2.454 . . . . 52.91 110.304 177.787 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.76 148.17 43.09 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 123.007 1.384 . . . . 43.32 111.075 177.603 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -143.44 166.52 24.56 Favored 'General case' 0 CA--C 1.486 -1.504 0 C-N-CA 115.402 -2.519 . . . . 30.15 108.958 170.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -139.66 127.62 22.2 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.515 1.626 . . . . 86.35 111.696 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.64 173.32 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 CA-C-N 111.375 -2.648 . . . . 60.05 111.836 -179.232 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -160.85 -77.67 0.03 OUTLIER Glycine 0 C--N 1.296 -1.689 0 O-C-N 117.46 -3.275 . . . . 48.07 112.148 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.44 161.47 0.19 Allowed 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 113.141 -1.53 . . . . 40.28 112.251 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . 0.342 47.7 t -178.76 81.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-N 114.482 -1.235 . . . . 48.38 110.372 169.052 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASN . . . . . 0.55 ' N ' ' ND2' ' B' ' 24' ' ' ASN 0.285 1.7 m120 -49.47 178.03 0.01 OUTLIER 'General case' 0 N--CA 1.41 -2.432 0 CA-C-O 124.082 1.896 . . . . 90.0 111.114 175.444 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -8.75 57.69 Favored 'General case' 0 N--CA 1.404 -2.737 0 CA-C-N 111.062 -2.79 . . . . 90.0 105.799 171.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -81.24 -50.42 9.58 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 122.38 1.086 . . . . 78.65 110.393 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.1 0.82 7.51 Favored Glycine 0 N--CA 1.427 -1.925 0 CA-C-N 113.354 -1.748 . . . . 46.82 110.374 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.43 144.85 46.15 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 113.513 -1.344 . . . . 82.88 111.595 179.15 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -156.2 151.06 26.13 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 125.704 1.602 . . . . 46.52 109.321 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.293 0.6 OUTLIER -124.01 166.36 15.86 Favored 'General case' 0 CA--C 1.48 -1.723 0 N-CA-C 103.353 -2.832 . . . . 48.49 103.353 176.983 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.36 44.19 Favored Glycine 0 CA--C 1.475 -2.438 0 O-C-N 126.546 2.404 . . . . 50.26 108.14 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p -124.56 154.32 40.8 Favored 'General case' 0 CA--C 1.475 -1.942 0 N-CA-C 104.476 -2.416 . . . . 40.98 104.476 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -135.02 128.49 32.44 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 127.704 3.127 . . . . 38.76 109.984 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.97 104.9 11.33 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 125.636 1.835 . . . . 68.62 109.428 176.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.1 t -85.71 144.29 27.88 Favored 'General case' 0 CA--C 1.454 -2.729 0 CA-C-N 114.611 -1.177 . . . . 43.87 109.036 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . 0.262 . . -84.75 -29.71 25.27 Favored 'General case' 0 N--CA 1.433 -1.298 0 O-C-N 125.965 2.041 . . . . 50.15 108.972 178.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 15.6 m -114.12 167.63 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-N 113.124 -1.853 . . . . 52.82 113.654 -173.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' THR . . . . . 0.587 ' CG2' ' CZ ' ' B' ' 72' ' ' PHE 0.516 2.2 p -160.92 154.9 22.64 Favored 'General case' 0 C--O 1.278 2.571 0 N-CA-C 121.226 3.787 . . . . 38.48 121.226 175.537 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.63 -13.33 20.4 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 111.199 -2.728 . . . . 57.47 112.115 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.15 157.93 16.66 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 111.47 -2.605 . . . . 71.34 112.466 -179.369 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -104.29 42.7 1.16 Allowed 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 114.33 -1.305 . . . . 90.0 112.298 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -129.6 128.67 43.14 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 125.45 1.719 . . . . 54.18 111.913 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -38.19 126.67 1.33 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 124.546 2.117 . . . . 90.0 114.096 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.36 143.25 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.73 0 CA-C-N 112.619 -2.082 . . . . 67.21 109.98 -176.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.38 138.33 38.16 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.643 -1.162 . . . . 71.23 108.205 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -37.79 135.37 0.64 Allowed 'General case' 0 C--O 1.254 1.329 0 O-C-N 123.883 0.739 . . . . 90.0 109.35 174.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . 0.622 0.0 OUTLIER -128.89 159.35 68.95 Favored Pre-proline 0 C--O 1.246 0.891 0 N-CA-C 114.781 1.4 . . . . 43.0 114.781 175.406 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -96.84 151.96 1.1 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 CA-C-O 123.852 1.521 . . . . 29.03 114.906 -174.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.91 151.91 51.97 Favored 'General case' 0 N--CA 1.382 -3.857 0 C-N-CA 115.411 -2.516 . . . . 30.4 111.261 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -125.78 126.46 44.59 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.081 -2.327 . . . . 77.01 111.011 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.44 179.64 21.54 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 126.731 2.519 . . . . 35.23 118.621 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 6.7 m -148.16 151.46 35.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.284 -1.958 . . . . 90.0 111.655 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -122.28 135.91 54.82 Favored 'General case' 0 C--O 1.261 1.658 0 O-C-N 126.258 2.224 . . . . 82.49 110.58 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.53 132.39 34.53 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 118.654 -1.218 . . . . 52.37 108.731 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . 0.276 0.8 OUTLIER -123.52 16.83 9.66 Favored 'General case' 0 CA--C 1.464 -2.352 0 CA-C-O 118.194 -0.908 . . . . 58.4 112.056 -176.924 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.66 111.67 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 O-C-N 126.669 2.481 . . . . 44.83 109.445 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.53 50.72 0.9 Allowed 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 105.208 -2.145 . . . . 90.0 105.208 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -21.44 85.64 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.913 2.008 . . . . 64.69 114.998 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.23 151.51 24.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 122.007 0.908 . . . . 77.16 112.206 176.933 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -13.29 60.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.992 2.117 . . . . 72.47 113.228 176.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -135.25 72.03 66.69 Favored Pre-proline 0 N--CA 1.439 -0.997 0 CA-C-N 113.224 -1.807 . . . . 59.1 111.397 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.88 162.32 42.29 Favored 'Trans proline' 0 C--N 1.309 -1.553 0 O-C-N 118.563 -1.335 . . . . 33.73 114.415 -176.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 46.0 p -93.41 169.14 10.59 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 116.811 -1.956 . . . . 39.17 106.048 174.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PHE . . . . . 0.443 ' O ' ' CG2' ' B' ' 80' ' ' THR . 50.9 p90 -156.55 -173.22 4.39 Favored 'General case' 0 C--O 1.194 -1.862 0 C-N-CA 117.046 -1.861 . . . . 26.78 109.547 -179.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.46 142.79 6.34 Favored Glycine 0 N--CA 1.42 -2.43 0 O-C-N 124.634 1.209 . . . . 24.13 113.699 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -142.14 157.93 44.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 125.077 2.37 . . . . 30.95 115.397 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -118.21 127.81 54.1 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.942 -1.481 . . . . 35.79 108.516 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.99 112.19 37.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 126.755 2.022 . . . . 33.01 106.666 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -90.06 86.66 6.63 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.504 -1.225 . . . . 63.25 109.945 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -45.45 127.93 7.69 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.031 -0.986 . . . . 48.67 113.347 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . 0.268 2.6 tptt -86.1 -27.29 24.77 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.286 -0.87 . . . . 90.0 113.062 177.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' B' ' 38' ' ' THR . 3.7 p90 -95.03 4.98 53.17 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 115.25 1.574 . . . . 42.77 115.25 -178.054 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -140.61 170.1 16.41 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 113.989 1.107 . . . . 44.15 113.989 -171.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.8 17.78 17.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 113.165 -3.414 . . . . 90.0 109.337 173.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . 0.393 0.4 OUTLIER -108.84 173.17 6.44 Favored 'General case' 0 CA--C 1.455 -2.698 0 N-CA-C 115.096 1.517 . . . . 29.78 115.096 -176.147 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 90.4 m -134.72 145.56 48.6 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 127.0 2.688 . . . . 36.34 112.508 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.8 m -126.03 140.19 52.8 Favored 'General case' 0 C--O 1.194 -1.861 0 O-C-N 124.818 1.324 . . . . 29.8 113.031 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.23 142.13 44.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 119.503 -1.998 . . . . 39.05 105.732 177.047 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -125.27 150.49 47.02 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.311 1.844 . . . . 24.05 112.419 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' B' ' 64' ' ' PHE . 0.2 OUTLIER -151.28 153.79 35.52 Favored 'General case' 0 C--O 1.302 3.852 0 N-CA-C 102.397 -3.186 . . . . 38.2 102.397 172.032 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.08 33.19 Favored Glycine 0 N--CA 1.417 -2.571 0 O-C-N 128.57 3.669 . . . . 34.26 113.638 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -127.97 156.07 43.26 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 125.706 2.669 . . . . 53.36 110.575 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.2 t -108.18 112.24 24.64 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 104.712 -2.329 . . . . 32.12 104.712 178.801 -178.463 -78.213 -168.075 95.43 1.915 110.188 98.489 106.566 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -113.41 160.06 18.82 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-O 124.846 2.26 . . . . 38.43 110.03 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 45.4 mm -103.1 105.99 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.804 0 CA-C-N 111.333 -2.667 . . . . 31.19 107.365 172.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.88 165.41 25.18 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 113.959 -1.473 . . . . 81.78 107.713 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -59.58 -38.88 82.36 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-N 114.341 -1.3 . . . . 51.35 113.293 -176.345 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -54.03 -22.81 11.49 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 122.569 1.175 . . . . 51.04 110.328 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.88 -6.16 40.39 Favored Glycine 0 C--O 1.209 -1.435 0 N-CA-C 109.13 -1.588 . . . . 42.08 109.13 -173.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -84.04 138.31 33.15 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 115.061 1.504 . . . . 90.0 115.061 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . 0.423 ' CG ' ' CB ' ' B' ' 4' ' ' CYS 0.322 0.1 OUTLIER -72.1 134.87 46.03 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 111.106 -2.77 . . . . 52.57 106.267 173.808 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . 0.267 2.7 t -136.63 129.5 45.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 C-N-CA 125.262 1.425 . . . . 75.77 108.41 177.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.8 mp -98.43 113.09 24.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.458 -0.571 . . . . 86.28 109.458 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -101.43 124.66 47.45 Favored 'General case' 0 CA--C 1.452 -2.801 0 N-CA-C 104.074 -2.565 . . . . 90.0 104.074 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . 0.352 0.9 OUTLIER -137.57 162.52 33.54 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 125.445 1.715 . . . . 28.83 115.293 -168.281 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 150.61 36.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.391 -1.277 . . . . 27.97 107.936 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -147.5 164.81 32.22 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 119.268 3.062 . . . . 27.54 119.268 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.9 mt -124.82 131.59 53.43 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 112.084 -2.326 . . . . 18.24 106.956 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.39 108.25 14.83 Favored 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 107.298 -1.371 . . . . 25.12 107.298 178.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' B' ' 109' ' ' ASP . 1.8 tpp180 -100.47 128.31 46.57 Favored 'General case' 0 CA--C 1.498 -1.036 0 O-C-N 126.831 2.582 . . . . 29.99 112.96 -176.418 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.9 p -119.7 166.6 12.99 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 113.913 -1.494 . . . . 31.91 112.138 -179.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.57 132.99 33.76 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 116.432 2.012 . . . . 90.0 116.432 -173.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.5 155.67 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 N-CA-C 105.84 -1.911 . . . . 34.81 105.84 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -84.2 -8.74 58.97 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 124.241 0.963 . . . . 61.26 111.677 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -152.82 139.03 18.35 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 122.445 1.117 . . . . 90.0 112.015 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . 0.407 0.0 OUTLIER -63.16 2.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 117.589 2.441 . . . . 62.12 117.589 -174.732 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.11 -17.47 50.77 Favored Glycine 0 CA--C 1.471 -2.704 0 N-CA-C 105.981 -2.848 . . . . 47.89 105.981 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 108' ' ' ASP . 19.6 m-20 -101.69 9.9 40.57 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.585 0.957 . . . . 63.04 113.585 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ASP . . . . . 0.501 ' OD1' ' NH2' ' B' ' 100' ' ' ARG . 24.6 t70 -53.79 -47.58 70.63 Favored 'General case' 0 C--O 1.261 1.68 0 CA-C-O 123.227 1.489 . . . . 27.13 113.961 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 31.8 p-90 -53.98 -12.45 0.58 Allowed 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.724 -1.58 . . . . 31.41 115.13 -172.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 16.03 16.28 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 114.397 -2.921 . . . . 52.17 113.315 -177.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -90.5 -10.72 42.58 Favored 'General case' 0 CA--C 1.559 1.301 1 N-CA-C 122.066 4.099 . . . . 30.79 122.066 -178.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 97.7 m -113.77 125.6 54.28 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 118.993 -2.317 . . . . 32.96 114.682 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -99.47 159.75 14.79 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 125.01 1.443 . . . . 58.37 107.911 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.72 142.13 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.934 0 O-C-N 123.755 0.659 . . . . 17.69 109.375 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.81 -170.55 30.88 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-O 117.532 -1.704 . . . . 23.92 109.226 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . 0.283 0.9 OUTLIER -122.9 164.28 20.5 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 129.104 2.962 . . . . 90.0 110.35 -176.463 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . 0.336 27.2 m-20 -164.16 132.78 3.64 Favored 'General case' 0 N--CA 1.52 3.046 0 C-N-CA 128.673 2.789 . . . . 39.75 112.94 173.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.19 119.5 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.558 0 CA-C-O 118.26 -0.876 . . . . 33.01 109.174 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -101.08 145.57 28.57 Favored 'General case' 0 C--O 1.261 1.674 0 O-C-N 128.969 3.918 . . . . 35.51 114.05 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.34 162.87 31.83 Favored 'General case' 0 C--O 1.268 2.051 0 CA-C-N 110.181 -3.19 . . . . 46.81 112.288 -176.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . 0.323 0.0 OUTLIER -79.86 129.93 34.89 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 114.682 -2.807 . . . . 75.16 113.313 -178.385 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -46.37 14.82 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 124.935 1.397 . . . . 65.57 112.911 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.55 146.04 1.63 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.794 -1.094 . . . . 90.0 109.39 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.627 -1.169 . . . . 37.37 111.32 178.781 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 600' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 113.155 0.798 . . . . 39.39 113.155 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 108.0 0.36 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.186 1.47 . . . . 54.25 109.854 179.522 -128.188 -84.91 -79.714 98.165 2.035 103.731 -72.682 -168.921 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -112.36 117.95 33.86 Favored 'General case' 0 C--O 1.206 -1.224 0 O-C-N 119.861 -1.774 . . . . 84.18 111.402 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -31.02 66.72 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 117.778 -1.569 . . . . 57.47 114.012 179.537 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' GLY 0.297 54.8 m -50.1 130.89 23.07 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 112.788 -2.006 . . . . 45.08 115.227 -176.942 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.64 -152.7 19.94 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 120.067 -1.063 . . . . 31.31 114.715 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.75 ' HG2' ' OG1' ' A' ' 19' ' ' THR . 34.2 mtpt -125.83 130.39 51.3 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 113.04 -1.58 . . . . 90.0 110.836 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -127.46 160.53 31.19 Favored 'General case' 0 CA--C 1.467 -2.24 0 O-C-N 126.114 2.134 . . . . 39.99 111.645 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . 0.54 ' O ' ' HA ' ' A' ' 120' ' ' PHE 0.284 1.6 t -130.68 160.91 32.86 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 111.529 -2.578 . . . . 32.14 112.605 173.643 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . 0.531 ' HB2' ' N ' ' A' ' 16' ' ' SER 0.665 0.9 OUTLIER -109.4 172.43 6.86 Favored 'General case' 0 CA--C 1.479 -1.752 0 N-CA-C 116.091 1.885 . . . . 64.67 116.091 -175.678 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -75.61 -20.25 58.68 Favored 'General case' 0 N--CA 1.412 -2.375 0 CA-C-N 111.759 -2.473 . . . . 50.56 110.829 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' H ' ' HB3' ' A' ' 12' ' ' ASN 0.26 4.1 mt -97.28 -0.13 47.12 Favored 'General case' 0 C--O 1.269 2.118 0 C-N-CA 113.961 -3.096 . . . . 40.94 107.243 177.137 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . 0.491 ' H ' ' HB3' ' A' ' 12' ' ' ASN . . . 93.21 16.32 47.6 Favored Glycine 0 C--N 1.365 2.175 0 CA-C-O 125.435 2.686 . . . . 27.02 111.766 179.132 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . 0.531 ' N ' ' HB2' ' A' ' 12' ' ' ASN . 5.1 m -79.17 149.86 31.86 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 118.013 -3.051 . . . . 39.16 110.007 177.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -120.85 151.48 39.58 Favored 'General case' 0 CA--C 1.486 -1.488 0 O-C-N 120.073 -1.642 . . . . 90.0 109.776 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 20' ' ' ILE . 8.2 ptt? -150.0 137.83 20.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.47 1.106 . . . . 31.87 111.767 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.75 ' OG1' ' HG2' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -118.37 123.76 46.08 Favored 'General case' 0 C--O 1.275 2.414 0 CA-C-O 125.405 2.526 . . . . 46.5 110.893 -177.975 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 20' ' ' ILE . 1.2 mt -118.45 122.62 69.97 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 CA-C-N 110.3 -3.136 . . . . 41.73 116.013 -174.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 7' ' ' THR . . . -55.93 -153.74 0.01 OUTLIER Glycine 0 C--N 1.35 1.321 0 O-C-N 126.52 2.387 . . . . 42.17 112.246 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.24 146.17 29.66 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-O 116.889 -1.529 . . . . 46.65 108.135 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.727 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.2 t -95.35 159.89 2.83 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.505 0 O-C-N 125.979 2.049 . . . . 52.57 111.85 -178.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' HG12 ' A' ' 23' ' ' VAL . 24.8 m-20 -108.53 -169.01 1.43 Allowed 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 114.508 1.299 . . . . 90.0 114.508 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -70.91 -35.35 72.23 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-N 110.625 -2.989 . . . . 51.43 106.849 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 4.59 30.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 126.072 2.108 . . . . 72.17 111.623 177.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.48 21.59 72.61 Favored Glycine 0 CA--C 1.549 2.211 0 C-N-CA 126.328 1.918 . . . . 52.57 116.482 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.727 ' O ' ' HA ' ' A' ' 23' ' ' VAL 0.494 0.0 OUTLIER -83.42 157.48 22.46 Favored 'General case' 0 CA--C 1.475 -1.911 0 N-CA-C 116.125 1.898 . . . . 90.0 116.125 -179.548 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -164.86 167.29 18.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 112.382 -2.19 . . . . 44.38 110.34 -175.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.92 170.29 20.75 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 105.597 -2.001 . . . . 71.13 105.597 -176.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' HA3' ' O ' ' A' ' 19' ' ' THR . . . 173.03 -162.86 34.39 Favored Glycine 0 CA--C 1.488 -1.624 0 C-N-CA 116.644 -2.694 . . . . 20.06 106.706 -175.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -138.93 154.75 48.37 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 119.223 -0.991 . . . . 25.69 110.076 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -124.71 134.71 52.75 Favored 'General case' 0 C--O 1.263 1.771 0 O-C-N 126.573 2.421 . . . . 26.05 113.275 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 517' ' ' HOH . 0.8 OUTLIER -124.71 102.88 7.8 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-O 126.091 2.853 . . . . 37.27 110.441 170.558 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 35' ' ' THR . 14.7 t -83.56 133.01 34.88 Favored 'General case' 0 N--CA 1.4 -2.971 0 O-C-N 119.757 -1.84 . . . . 26.43 110.363 -177.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.75 -33.99 76.84 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 126.272 2.233 . . . . 35.24 112.499 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.62 159.3 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.058 0 CA-C-O 121.746 0.784 . . . . 37.39 110.76 -176.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.68 161.23 38.25 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-O 124.525 2.107 . . . . 53.34 111.272 179.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.46 -4.99 16.82 Favored 'General case' 0 CA--C 1.479 -1.773 0 CA-C-N 113.078 -1.874 . . . . 51.67 109.934 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.686 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -108.57 145.07 35.4 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 125.154 1.534 . . . . 56.22 112.242 179.672 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . 0.585 ' N ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -80.46 89.7 5.62 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.257 -2.868 . . . . 54.91 103.257 174.195 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . 0.686 ' HB2' ' CG2' ' A' ' 40' ' ' THR . 4.5 t-20 -176.06 111.87 0.11 Allowed 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 117.49 -1.684 . . . . 81.23 114.767 -176.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -27.0 101.98 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.779 2.14 . . . . 53.05 116.779 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 35' ' ' THR . 3.8 mt -50.65 143.49 2.47 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 C-N-CA 126.737 2.015 . . . . 40.34 111.519 178.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.715 ' HG3' ' HB3' ' A' ' 72' ' ' PHE . 4.8 mtmt -139.54 163.78 31.63 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 125.513 1.525 . . . . 90.0 111.047 -179.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -76.1 131.04 39.19 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 105.413 -2.069 . . . . 61.19 105.413 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 m -131.11 158.27 75.68 Favored Pre-proline 0 N--CA 1.424 -1.75 0 CA-C-O 117.194 -1.384 . . . . 35.66 107.4 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -80.71 153.27 19.97 Favored 'Trans proline' 0 CA--C 1.567 2.172 1 C-N-CA 128.041 5.827 . . . . 21.81 118.476 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 151.28 47.55 Favored 'General case' 0 N--CA 1.412 -2.353 0 O-C-N 120.512 -1.367 . . . . 35.3 108.322 174.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -136.42 125.29 24.11 Favored 'General case' 0 N--CA 1.424 -1.761 0 O-C-N 127.024 2.702 . . . . 57.44 104.132 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.46 -150.58 6.52 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 119.472 -1.347 . . . . 39.69 114.996 -175.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 52' ' ' THR 0.305 0.4 OUTLIER -178.28 146.15 0.37 Allowed 'General case' 0 C--O 1.252 1.231 0 CA-C-N 112.401 -1.9 . . . . 41.8 108.126 -174.757 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.08 124.45 17.92 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-O 123.38 1.562 . . . . 47.64 108.81 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -56.63 137.8 53.38 Favored 'General case' 0 CA--C 1.462 -2.434 0 CA-C-N 110.66 -2.973 . . . . 55.74 111.974 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.26 10.47 Favored 'General case' 0 CA--C 1.574 1.896 1 O-C-N 129.769 4.418 . . . . 38.23 117.813 177.748 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp -45.81 147.04 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.397 1.079 . . . . 90.0 113.773 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -47.12 92.04 0.01 OUTLIER 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.362 2.265 . . . . 71.39 116.786 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.76 17.84 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 102.461 -3.163 . . . . 67.33 102.461 177.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . 0.416 ' H ' ' HG3' ' A' ' 59' ' ' ARG . 2.4 mtp-105 -20.67 -84.51 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 109.319 -3.582 . . . . 90.0 116.326 174.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 m -17.84 -56.89 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.615 1.339 . . . . 69.01 114.615 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HB3' ' O ' ' A' ' 83' ' ' CYS . 9.1 mt-30 -131.44 97.65 19.29 Favored Pre-proline 0 CA--C 1.494 -1.175 0 CA-C-O 124.017 1.865 . . . . 54.23 109.438 -177.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -91.26 159.6 3.76 Favored 'Trans proline' 0 C--N 1.266 -3.805 0 N-CA-C 114.947 1.095 . . . . 33.69 114.947 -175.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.604 HG22 ' HG3' ' A' ' 82' ' ' GLN . 60.4 p -93.06 169.58 10.31 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 102.825 -3.028 . . . . 31.3 102.825 175.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 10.0 p90 -168.33 -178.0 3.43 Favored 'General case' 0 N--CA 1.411 -2.385 0 C-N-CA 118.246 -1.381 . . . . 35.39 107.778 -177.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.97 138.81 4.32 Favored Glycine 0 C--O 1.214 -1.153 0 O-C-N 125.39 1.682 . . . . 20.62 115.194 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 79' ' ' PHE . 39.2 p90 -132.56 169.85 16.02 Favored 'General case' 0 N--CA 1.419 -2.02 0 O-C-N 121.473 -1.016 . . . . 20.4 110.715 179.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.258 7.7 m -127.94 143.47 51.1 Favored 'General case' 0 CA--C 1.462 -2.422 0 N-CA-C 102.964 -2.976 . . . . 29.78 102.964 -178.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.58 123.85 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.171 0 O-C-N 128.04 3.338 . . . . 19.56 108.084 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.08 85.7 4.4 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 126.798 2.561 . . . . 83.49 113.263 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -48.22 123.08 5.89 Favored 'General case' 0 C--O 1.258 1.542 0 CA-C-O 123.562 1.649 . . . . 41.64 110.732 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -85.19 -10.2 56.93 Favored 'General case' 0 C--O 1.19 -2.053 0 CA-C-N 112.226 -2.261 . . . . 90.0 106.864 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PHE . . . . . 0.715 ' HB3' ' HG3' ' A' ' 45' ' ' LYS . 45.0 p90 -123.78 23.98 8.54 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 114.201 1.185 . . . . 32.29 114.201 -172.864 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -166.62 171.43 11.66 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 108.506 -0.924 . . . . 38.82 108.506 179.146 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 73' ' ' SER . 29.0 mt-10 -91.67 5.34 50.1 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.083 -1.047 . . . . 73.81 112.835 -177.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . 0.513 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 2.9 m -99.81 172.23 7.38 Favored 'General case' 0 C--O 1.276 2.481 0 CA-C-O 124.143 1.925 . . . . 43.97 115.494 -177.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 77' ' ' THR . 16.5 m -132.88 146.94 52.24 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 109.185 -3.643 . . . . 29.34 110.675 174.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . 0.529 ' N ' HG22 ' A' ' 76' ' ' THR . 97.6 m -127.68 147.14 50.38 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.399 -0.819 . . . . 32.4 109.513 175.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . 0.468 ' N ' HG22 ' A' ' 77' ' ' THR . 3.6 m -131.69 138.25 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 117.734 -1.586 . . . . 23.33 111.632 174.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . 0.46 ' CD1' ' CE1' ' A' ' 66' ' ' PHE . 62.2 m-85 -119.74 151.69 38.37 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 105.553 -2.018 . . . . 25.67 105.553 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 t -158.37 145.53 17.82 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 103.165 -2.902 . . . . 19.5 103.165 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 176.41 -158.48 24.84 Favored Glycine 0 C--N 1.369 2.362 0 O-C-N 126.178 2.174 . . . . 28.49 112.117 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . 0.604 ' HG3' HG22 ' A' ' 63' ' ' THR . 2.1 tt0 -130.09 144.16 51.19 Favored 'General case' 0 C--O 1.273 2.292 0 O-C-N 125.259 1.211 . . . . 37.95 112.658 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' CYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 61' ' ' GLN . 22.4 t -88.87 114.02 25.04 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 126.42 2.325 . . . . 39.72 107.659 172.553 -168.921 -72.682 -79.714 103.731 2.035 98.165 -84.91 -128.188 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 94.5 m-85 -109.72 161.38 15.46 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-O 123.509 1.623 . . . . 45.46 113.625 178.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . 0.492 ' HA ' ' O ' ' A' ' 90' ' ' LYS . 2.4 mt -134.06 93.19 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.442 0 C-N-CA 126.271 1.828 . . . . 75.89 106.966 179.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' OD1' ' HB2' ' A' ' 88' ' ' ASN . 1.5 p30 -43.45 -57.18 3.21 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 123.812 1.767 . . . . 68.81 113.181 -172.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.87 -60.54 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 111.479 -2.601 . . . . 15.0 106.824 -177.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . 0.465 ' HB2' ' OD1' ' A' ' 86' ' ' ASP . 1.7 m-80 -34.17 -39.63 0.08 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 112.674 -2.057 . . . . 58.28 111.7 177.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.08 19.86 7.86 Favored Glycine 0 CA--C 1.457 -3.576 0 N-CA-C 103.239 -3.944 . . . . 64.61 103.239 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -84.54 124.82 31.82 Favored 'General case' 0 C--N 1.367 1.337 1 O-C-N 130.396 4.233 . . . . 72.73 107.492 177.009 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . 0.553 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -92.43 148.59 21.99 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 106.839 -1.541 . . . . 90.0 106.839 -179.825 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.28 131.54 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.221 0 O-C-N 125.639 1.837 . . . . 47.63 111.858 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . 0.745 ' HB2' ' HB2' ' A' ' 120' ' ' PHE . 0.6 OUTLIER -97.85 127.02 43.52 Favored 'General case' 0 CA--C 1.477 -1.851 0 N-CA-C 104.354 -2.461 . . . . 31.15 104.354 178.028 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -114.42 113.92 25.15 Favored 'General case' 0 CA--C 1.464 -2.34 0 N-CA-C 103.155 -2.906 . . . . 86.12 103.155 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 49.9 p -131.68 157.76 42.9 Favored 'General case' 0 CA--C 1.459 -2.531 0 O-C-N 126.958 2.661 . . . . 23.64 109.981 -175.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.86 140.44 44.15 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 127.997 3.31 . . . . 32.14 106.251 -179.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -141.04 165.91 26.24 Favored 'General case' 0 C--O 1.275 2.434 0 O-C-N 118.943 -2.348 . . . . 28.28 109.593 -172.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.274 18.5 mt -125.87 120.58 30.85 Favored 'General case' 0 C--O 1.268 2.073 2 C-N-CA 132.187 4.195 . . . . 17.24 109.249 -175.819 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.6 tp -110.05 115.75 30.32 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.034 -0.985 . . . . 25.8 110.743 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER -100.74 127.3 47.21 Favored 'General case' 0 CA--C 1.485 -1.554 0 O-C-N 120.589 -1.319 . . . . 31.79 110.373 -177.756 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -100.75 161.77 13.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 110.256 -0.276 . . . . 55.95 110.256 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 137.49 32.29 Favored 'General case' 0 C--O 1.195 -1.803 0 C-N-CA 119.746 -0.782 . . . . 71.89 112.503 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.0 m -124.53 156.8 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.364 0 O-C-N 125.086 1.491 . . . . 43.37 109.445 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -93.58 -9.48 37.97 Favored 'General case' 0 C--O 1.251 1.164 1 N-CA-C 121.918 4.044 . . . . 90.0 121.918 -176.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -145.07 135.02 23.74 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.802 1.314 . . . . 90.0 108.174 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ILE . . . . . 0.438 ' H ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -41.35 -29.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.847 1.203 . . . . 90.0 109.864 177.381 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -53.9 -29.88 43.7 Favored Glycine 0 CA--C 1.479 -2.179 0 C-N-CA 126.742 2.115 . . . . 42.25 113.666 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -89.6 -18.31 26.79 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 111.695 -2.253 . . . . 55.55 115.001 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -32.53 -39.69 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.337 0 N-CA-C 114.7 1.37 . . . . 34.55 114.7 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TRP . . . . . 0.481 ' CZ2' ' HD3' ' A' ' 111' ' ' LYS 0.361 30.5 p-90 -44.8 -39.9 5.66 Favored 'General case' 0 C--O 1.264 1.836 0 CA-C-N 112.812 -1.995 . . . . 39.93 115.754 -174.323 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HD3' ' CZ2' ' A' ' 110' ' ' TRP . 36.1 pttt -105.74 17.75 23.25 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 117.08 2.252 . . . . 59.84 117.08 -176.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.51 4.4 49.34 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 115.441 1.645 . . . . 36.88 115.441 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.7 m -125.11 123.32 39.46 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 116.691 2.108 . . . . 33.52 116.691 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.66 153.3 23.61 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 126.588 1.955 . . . . 53.0 107.699 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.14 167.28 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 C-N-CA 122.651 0.38 . . . . 25.39 111.088 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.68 -170.29 37.36 Favored Glycine 0 N--CA 1.428 -1.894 0 O-C-N 120.906 -1.121 . . . . 14.65 111.187 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 505' ' ' HOH . 0.2 OUTLIER -118.19 -174.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 117.909 2.559 . . . . 41.01 117.909 179.992 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -174.92 136.03 0.39 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 111.994 -2.366 . . . . 46.62 113.661 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 12' ' ' ASN 0.262 12.7 mt -114.28 129.77 69.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 CA-C-N 113.264 -1.789 . . . . 41.64 111.671 178.416 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PHE . . . . . 0.745 ' HB2' ' HB2' ' A' ' 93' ' ' LEU . 13.9 m-85 -123.49 134.16 53.94 Favored 'General case' 0 C--O 1.262 1.716 0 CA-C-O 123.378 1.561 . . . . 43.16 112.749 -178.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.8 p -136.37 162.98 31.52 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 102.354 -3.202 . . . . 33.57 102.354 174.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ARG . . . . . 0.494 ' NH1' ' CD ' ' A' ' 91' ' ' GLU 0.452 0.3 OUTLIER -88.78 158.55 18.12 Favored 'General case' 0 CA--C 1.462 -2.416 0 N-CA-C 118.595 2.813 . . . . 47.52 118.595 -177.182 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 123' ' ' LEU . 5.4 mt -86.02 119.23 26.09 Favored 'General case' 0 C--N 1.366 1.318 2 O-C-N 131.55 5.531 . . . . 90.0 118.036 -177.662 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . 0.259 13.1 ptm180 -59.75 169.84 1.28 Allowed 'General case' 0 C--N 1.386 2.156 0 O-C-N 125.838 1.961 . . . . 58.11 112.953 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.944 -0.571 . . . . 29.75 111.595 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.787 ' HG2' ' OG1' ' B' ' 60' ' ' THR 0.284 20.3 mmmt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 114.33 1.233 . . . . 90.0 114.33 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . 0.833 ' HB2' ' CG ' ' B' ' 91' ' ' GLU 1.03 0.1 OUTLIER -76.36 120.98 22.36 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 119.481 3.141 . . . . 47.46 119.481 -178.941 106.566 98.489 -168.075 110.188 1.915 95.43 -78.213 -178.463 4 4 . 1 . 001 ecloud build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p -121.88 146.72 46.83 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 114.245 1.202 . . . . 90.0 114.245 -173.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.3 OUTLIER -70.33 -36.68 74.4 Favored 'General case' 0 C--N 1.344 0.367 0 O-C-N 125.055 1.472 . . . . 44.44 113.872 -179.985 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m -47.61 123.0 5.3 Favored 'General case' 1 C--O 1.306 4.042 0 N-CA-C 114.834 1.42 . . . . 51.64 114.834 -179.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.61 -166.56 25.55 Favored Glycine 0 C--N 1.396 3.869 0 CA-C-O 124.57 2.206 . . . . 43.14 118.245 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . 0.797 ' HE3' HG21 ' B' ' 19' ' ' THR . 0.0 OUTLIER -99.95 137.73 38.0 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 105.206 -2.146 . . . . 90.0 105.206 175.097 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 10' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' B' ' 122' ' ' ARG . 56.6 m95 -140.05 149.62 43.37 Favored 'General case' 0 CA--C 1.465 -2.302 0 N-CA-C 107.008 -1.479 . . . . 59.28 107.008 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' THR . . . . . 0.523 ' HB ' HD12 ' B' ' 123' ' ' LEU . 6.0 t -129.39 150.42 50.75 Favored 'General case' 0 C--O 1.262 1.737 0 O-C-N 126.71 2.506 . . . . 36.79 106.819 174.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASN . . . . . 0.797 ' ND2' ' H ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -125.61 156.65 38.86 Favored 'General case' 0 CA--C 1.471 -2.07 0 O-C-N 125.246 1.591 . . . . 42.98 110.485 -176.758 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -43.88 7.02 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 119.602 3.186 . . . . 55.89 119.602 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 12' ' ' ASN . 9.4 mt -131.97 9.4 4.52 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 123.459 1.599 . . . . 51.54 108.897 -175.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.41 5.85 89.19 Favored Glycine 0 C--N 1.295 -1.728 0 CA-C-N 113.043 -1.889 . . . . 36.41 113.334 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . 0.866 ' HB3' ' HA ' ' B' ' 35' ' ' THR 0.353 0.8 OUTLIER -85.04 146.37 27.21 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 115.566 -2.454 . . . . 52.91 110.304 177.787 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.76 148.17 43.09 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 123.007 1.384 . . . . 43.32 111.075 177.603 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -143.44 166.52 24.56 Favored 'General case' 0 CA--C 1.486 -1.504 0 C-N-CA 115.402 -2.519 . . . . 30.15 108.958 170.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . 0.797 HG21 ' HE3' ' B' ' 9' ' ' LYS . 1.9 p -139.66 127.62 22.2 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.515 1.626 . . . . 86.35 111.696 -177.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.64 173.32 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 CA-C-N 111.375 -2.648 . . . . 60.05 111.836 -179.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -160.85 -77.67 0.03 OUTLIER Glycine 0 C--N 1.296 -1.689 0 O-C-N 117.46 -3.275 . . . . 48.07 112.148 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' B' ' 29' ' ' PHE . . . -49.44 161.47 0.19 Allowed 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 113.141 -1.53 . . . . 40.28 112.251 -179.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . 0.616 HG12 ' O ' ' B' ' 23' ' ' VAL 0.342 47.7 t -178.76 81.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-N 114.482 -1.235 . . . . 48.38 110.372 169.052 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASN . . . . . 0.708 ' ND2' ' HB2' ' B' ' 28' ' ' GLU 0.285 5.9 m-20 -49.47 178.03 0.01 OUTLIER 'General case' 0 N--CA 1.41 -2.432 0 CA-C-O 124.082 1.896 . . . . 90.0 111.114 175.444 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -8.75 57.69 Favored 'General case' 0 N--CA 1.404 -2.737 0 CA-C-N 111.062 -2.79 . . . . 90.0 105.799 171.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . 0.555 ' H ' ' HB2' ' B' ' 24' ' ' ASN . 13.1 mtt-85 -81.24 -50.42 9.58 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 122.38 1.086 . . . . 78.65 110.393 176.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.1 0.82 7.51 Favored Glycine 0 N--CA 1.427 -1.925 0 CA-C-N 113.354 -1.748 . . . . 46.82 110.374 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . 0.708 ' HB2' ' ND2' ' B' ' 24' ' ' ASN . 0.7 OUTLIER -73.43 144.85 46.15 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 113.513 -1.344 . . . . 82.88 111.595 179.15 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . 0.753 ' CE1' ' HA3' ' B' ' 51' ' ' GLY . 12.4 p90 -156.2 151.06 26.13 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 125.704 1.602 . . . . 46.52 109.321 177.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . 0.486 ' HA ' ' O ' ' B' ' 49' ' ' LEU 0.293 0.6 OUTLIER -124.01 166.36 15.86 Favored 'General case' 0 CA--C 1.48 -1.723 0 N-CA-C 103.353 -2.832 . . . . 48.49 103.353 176.983 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.36 44.19 Favored Glycine 0 CA--C 1.475 -2.438 0 O-C-N 126.546 2.404 . . . . 50.26 108.14 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p -124.56 154.32 40.8 Favored 'General case' 0 CA--C 1.475 -1.942 0 N-CA-C 104.476 -2.416 . . . . 40.98 104.476 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -135.02 128.49 32.44 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 127.704 3.127 . . . . 38.76 109.984 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.97 104.9 11.33 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 125.636 1.835 . . . . 68.62 109.428 176.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' THR . . . . . 0.866 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 4.1 t -85.71 144.29 27.88 Favored 'General case' 0 CA--C 1.454 -2.729 0 CA-C-N 114.611 -1.177 . . . . 43.87 109.036 -176.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . 0.262 . . -84.75 -29.71 25.27 Favored 'General case' 0 N--CA 1.433 -1.298 0 O-C-N 125.965 2.041 . . . . 50.15 108.972 178.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 38' ' ' THR . 15.6 m -114.12 167.63 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-N 113.124 -1.853 . . . . 52.82 113.654 -173.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' THR . . . . . 0.955 HG21 ' CE2' ' B' ' 72' ' ' PHE 0.516 2.2 p -160.92 154.9 22.64 Favored 'General case' 0 C--O 1.278 2.571 0 N-CA-C 121.226 3.787 . . . . 38.48 121.226 175.537 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.63 -13.33 20.4 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 111.199 -2.728 . . . . 57.47 112.115 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.15 157.93 16.66 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 111.47 -2.605 . . . . 71.34 112.466 -179.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -104.29 42.7 1.16 Allowed 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 114.33 -1.305 . . . . 90.0 112.298 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -129.6 128.67 43.14 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 125.45 1.719 . . . . 54.18 111.913 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -38.19 126.67 1.33 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 124.546 2.117 . . . . 90.0 114.096 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.36 143.25 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.73 0 CA-C-N 112.619 -2.082 . . . . 67.21 109.98 -176.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.38 138.33 38.16 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.643 -1.162 . . . . 71.23 108.205 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -37.79 135.37 0.64 Allowed 'General case' 0 C--O 1.254 1.329 0 O-C-N 123.883 0.739 . . . . 90.0 109.35 174.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . 0.622 0.0 OUTLIER -128.89 159.35 68.95 Favored Pre-proline 0 C--O 1.246 0.891 0 N-CA-C 114.781 1.4 . . . . 43.0 114.781 175.406 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -96.84 151.96 1.1 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 CA-C-O 123.852 1.521 . . . . 29.03 114.906 -174.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . 0.558 ' C ' HD12 ' B' ' 49' ' ' LEU . 2.8 pp -132.91 151.91 51.97 Favored 'General case' 0 N--CA 1.382 -3.857 0 C-N-CA 115.411 -2.516 . . . . 30.4 111.261 -179.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -125.78 126.46 44.59 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.081 -2.327 . . . . 77.01 111.011 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLY . . . . . 0.753 ' HA3' ' CE1' ' B' ' 29' ' ' PHE . . . -144.44 179.64 21.54 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 126.731 2.519 . . . . 35.23 118.621 -178.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' THR . . . . . 0.489 HG22 ' N ' ' B' ' 53' ' ' GLU . 6.7 m -148.16 151.46 35.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.284 -1.958 . . . . 90.0 111.655 -177.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . 0.489 ' N ' HG22 ' B' ' 52' ' ' THR . 2.7 tt0 -122.28 135.91 54.82 Favored 'General case' 0 C--O 1.261 1.658 0 O-C-N 126.258 2.224 . . . . 82.49 110.58 -179.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.53 132.39 34.53 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 118.654 -1.218 . . . . 52.37 108.731 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . 0.276 0.8 OUTLIER -123.52 16.83 9.66 Favored 'General case' 0 CA--C 1.464 -2.352 0 CA-C-O 118.194 -0.908 . . . . 58.4 112.056 -176.924 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.66 111.67 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 O-C-N 126.669 2.481 . . . . 44.83 109.445 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.53 50.72 0.9 Allowed 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 105.208 -2.145 . . . . 90.0 105.208 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -21.44 85.64 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.913 2.008 . . . . 64.69 114.998 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.23 151.51 24.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 122.007 0.908 . . . . 77.16 112.206 176.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' THR . . . . . 0.787 ' OG1' ' HG2' ' B' ' 3' ' ' LYS . 0.8 OUTLIER -66.56 -13.29 60.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.992 2.117 . . . . 72.47 113.228 176.876 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' B' ' 83' ' ' CYS . 21.7 mt-30 -135.25 72.03 66.69 Favored Pre-proline 0 N--CA 1.439 -0.997 0 CA-C-N 113.224 -1.807 . . . . 59.1 111.397 176.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.88 162.32 42.29 Favored 'Trans proline' 0 C--N 1.309 -1.553 0 O-C-N 118.563 -1.335 . . . . 33.73 114.415 -176.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 46.0 p -93.41 169.14 10.59 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 116.811 -1.956 . . . . 39.17 106.048 174.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PHE . . . . . 0.443 ' O ' ' CG2' ' B' ' 80' ' ' THR . 50.9 p90 -156.55 -173.22 4.39 Favored 'General case' 0 C--O 1.194 -1.862 0 C-N-CA 117.046 -1.861 . . . . 26.78 109.547 -179.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.46 142.79 6.34 Favored Glycine 0 N--CA 1.42 -2.43 0 O-C-N 124.634 1.209 . . . . 24.13 113.699 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -142.14 157.93 44.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 125.077 2.37 . . . . 30.95 115.397 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -118.21 127.81 54.1 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.942 -1.481 . . . . 35.79 108.516 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' VAL . . . . . 0.464 HG11 ' CH2' ' B' ' 70' ' ' TRP . 58.1 t -104.99 112.19 37.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 126.755 2.022 . . . . 33.01 106.666 -179.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -90.06 86.66 6.63 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.504 -1.225 . . . . 63.25 109.945 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' TRP . . . . . 0.464 ' CH2' HG11 ' B' ' 68' ' ' VAL . 88.9 m95 -45.45 127.93 7.69 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.031 -0.986 . . . . 48.67 113.347 -179.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . 0.268 2.6 tptt -86.1 -27.29 24.77 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.286 -0.87 . . . . 90.0 113.062 177.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PHE . . . . . 0.955 ' CE2' HG21 ' B' ' 38' ' ' THR . 3.7 p90 -95.03 4.98 53.17 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 115.25 1.574 . . . . 42.77 115.25 -178.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -140.61 170.1 16.41 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 113.989 1.107 . . . . 44.15 113.989 -171.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.8 17.78 17.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 113.165 -3.414 . . . . 90.0 109.337 173.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . 0.75 ' HB3' ' HA ' ' B' ' 101' ' ' SER 0.393 0.4 OUTLIER -108.84 173.17 6.44 Favored 'General case' 0 CA--C 1.455 -2.698 0 N-CA-C 115.096 1.517 . . . . 29.78 115.096 -176.147 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 90.4 m -134.72 145.56 48.6 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 127.0 2.688 . . . . 36.34 112.508 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.8 m -126.03 140.19 52.8 Favored 'General case' 0 C--O 1.194 -1.861 0 O-C-N 124.818 1.324 . . . . 29.8 113.031 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.23 142.13 44.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 119.503 -1.998 . . . . 39.05 105.732 177.047 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -125.27 150.49 47.02 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.311 1.844 . . . . 24.05 112.419 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' B' ' 64' ' ' PHE . 0.2 OUTLIER -151.28 153.79 35.52 Favored 'General case' 0 C--O 1.302 3.852 0 N-CA-C 102.397 -3.186 . . . . 38.2 102.397 172.032 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.08 33.19 Favored Glycine 0 N--CA 1.417 -2.571 0 O-C-N 128.57 3.669 . . . . 34.26 113.638 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -127.97 156.07 43.26 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 125.706 2.669 . . . . 53.36 110.575 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' B' ' 61' ' ' GLN . 52.2 t -108.18 112.24 24.64 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 104.712 -2.329 . . . . 32.12 104.712 178.801 -178.463 -78.213 -168.075 95.43 1.915 110.188 98.489 106.566 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' B' ' 91' ' ' GLU . 96.5 m-85 -113.41 160.06 18.82 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-O 124.846 2.26 . . . . 38.43 110.03 -179.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ILE . . . . . 0.742 HD11 ' HB3' ' B' ' 4' ' ' CYS . 45.4 mm -103.1 105.99 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.804 0 CA-C-N 111.333 -2.667 . . . . 31.19 107.365 172.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.88 165.41 25.18 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 113.959 -1.473 . . . . 81.78 107.713 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -59.58 -38.88 82.36 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-N 114.341 -1.3 . . . . 51.35 113.293 -176.345 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -54.03 -22.81 11.49 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 122.569 1.175 . . . . 51.04 110.328 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.88 -6.16 40.39 Favored Glycine 0 C--O 1.209 -1.435 0 N-CA-C 109.13 -1.588 . . . . 42.08 109.13 -173.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -84.04 138.31 33.15 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 115.061 1.504 . . . . 90.0 115.061 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . 0.833 ' CG ' ' HB2' ' B' ' 4' ' ' CYS 0.322 0.1 OUTLIER -72.1 134.87 46.03 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 111.106 -2.77 . . . . 52.57 106.267 173.808 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . 0.267 2.7 t -136.63 129.5 45.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 C-N-CA 125.262 1.425 . . . . 75.77 108.41 177.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . 0.851 ' HB2' ' HB2' ' B' ' 120' ' ' PHE . 2.8 mp -98.43 113.09 24.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.458 -0.571 . . . . 86.28 109.458 174.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -101.43 124.66 47.45 Favored 'General case' 0 CA--C 1.452 -2.801 0 N-CA-C 104.074 -2.565 . . . . 90.0 104.074 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' THR . . . . . 0.663 ' HB ' ' O ' ' B' ' 118' ' ' ASN 0.352 0.9 OUTLIER -137.57 162.52 33.54 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 125.445 1.715 . . . . 28.83 115.293 -168.281 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 150.61 36.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.391 -1.277 . . . . 27.97 107.936 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TRP . . . . . 0.429 ' O ' ' HA ' ' B' ' 115' ' ' VAL . 61.2 p-90 -147.5 164.81 32.22 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 119.268 3.062 . . . . 27.54 119.268 -176.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.9 mt -124.82 131.59 53.43 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 112.084 -2.326 . . . . 18.24 106.956 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LEU . . . . . 0.49 ' O ' ' HG ' ' B' ' 99' ' ' LEU . 0.2 OUTLIER -118.39 108.25 14.83 Favored 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 107.298 -1.371 . . . . 25.12 107.298 178.51 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ARG . . . . . 0.426 ' NH2' ' OD1' ' B' ' 109' ' ' ASP . 1.8 tpp180 -100.47 128.31 46.57 Favored 'General case' 0 CA--C 1.498 -1.036 0 O-C-N 126.831 2.582 . . . . 29.99 112.96 -176.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SER . . . . . 0.75 ' HA ' ' HB3' ' B' ' 75' ' ' SER . 52.9 p -119.7 166.6 12.99 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 113.913 -1.494 . . . . 31.91 112.138 -179.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.57 132.99 33.76 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 116.432 2.012 . . . . 90.0 116.432 -173.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.5 155.67 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 N-CA-C 105.84 -1.911 . . . . 34.81 105.84 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -84.2 -8.74 58.97 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 124.241 0.963 . . . . 61.26 111.677 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -152.82 139.03 18.35 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 122.445 1.117 . . . . 90.0 112.015 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ILE . . . . . 0.613 ' O ' HG13 ' B' ' 106' ' ' ILE 0.407 0.0 OUTLIER -63.16 2.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 117.589 2.441 . . . . 62.12 117.589 -174.732 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.11 -17.47 50.77 Favored Glycine 0 CA--C 1.471 -2.704 0 N-CA-C 105.981 -2.848 . . . . 47.89 105.981 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 108' ' ' ASP . 19.6 m-20 -101.69 9.9 40.57 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.585 0.957 . . . . 63.04 113.585 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ASP . . . . . 0.426 ' OD1' ' NH2' ' B' ' 100' ' ' ARG . 24.6 t70 -53.79 -47.58 70.63 Favored 'General case' 0 C--O 1.261 1.68 0 CA-C-O 123.227 1.489 . . . . 27.13 113.961 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' TRP . . . . . 0.416 ' CE2' ' HB3' ' B' ' 111' ' ' LYS . 31.8 p-90 -53.98 -12.45 0.58 Allowed 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.724 -1.58 . . . . 31.41 115.13 -172.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -115.85 16.03 16.28 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 114.397 -2.921 . . . . 52.17 113.315 -177.46 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -90.5 -10.72 42.58 Favored 'General case' 0 CA--C 1.559 1.301 1 N-CA-C 122.066 4.099 . . . . 30.79 122.066 -178.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 97.7 m -113.77 125.6 54.28 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 118.993 -2.317 . . . . 32.96 114.682 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -99.47 159.75 14.79 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 125.01 1.443 . . . . 58.37 107.911 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' B' ' 97' ' ' TRP . 7.2 p -142.72 142.13 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.934 0 O-C-N 123.755 0.659 . . . . 17.69 109.375 -177.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.81 -170.55 30.88 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-O 117.532 -1.704 . . . . 23.92 109.226 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ILE . . . . . 0.594 HG12 HD12 ' A' ' 117' ' ' ILE 0.283 0.9 OUTLIER -122.9 164.28 20.5 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 129.104 2.962 . . . . 90.0 110.35 -176.463 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . 0.663 ' O ' ' HB ' ' B' ' 95' ' ' THR 0.336 27.2 m-20 -164.16 132.78 3.64 Favored 'General case' 0 N--CA 1.52 3.046 0 C-N-CA 128.673 2.789 . . . . 39.75 112.94 173.37 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.19 119.5 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.558 0 CA-C-O 118.26 -0.876 . . . . 33.01 109.174 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PHE . . . . . 0.851 ' HB2' ' HB2' ' B' ' 93' ' ' LEU . 72.1 m-85 -101.08 145.57 28.57 Favored 'General case' 0 C--O 1.261 1.674 0 O-C-N 128.969 3.918 . . . . 35.51 114.05 -179.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.34 162.87 31.83 Favored 'General case' 0 C--O 1.268 2.051 0 CA-C-N 110.181 -3.19 . . . . 46.81 112.288 -176.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ARG . . . . . 0.417 ' HG2' ' CZ3' ' B' ' 10' ' ' TRP 0.323 0.0 OUTLIER -79.86 129.93 34.89 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 114.682 -2.807 . . . . 75.16 113.313 -178.385 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 123' ' ' LEU . . . . . 0.523 HD12 ' HB ' ' B' ' 11' ' ' THR . 0.5 OUTLIER -81.32 -46.37 14.82 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 124.935 1.397 . . . . 65.57 112.911 179.111 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.55 146.04 1.63 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.794 -1.094 . . . . 90.0 109.39 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.627 -1.169 . . . . 37.37 111.32 178.781 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 600' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . 0.652 ' O ' HD13 ' A' ' 117' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . 0.554 ' O ' ' HA ' ' A' ' 34' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 523' ' ' HOH . . . . . 0.748 ' O ' HG22 ' B' ' 38' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 113.155 0.798 . . . . 39.39 113.155 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 108.0 0.36 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.186 1.47 . . . . 54.25 109.854 179.522 -128.188 -84.91 -79.714 98.165 2.035 103.731 -72.682 -168.921 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -112.36 117.95 33.86 Favored 'General case' 0 C--O 1.206 -1.224 0 O-C-N 119.861 -1.774 . . . . 84.18 111.402 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -31.02 66.72 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 117.778 -1.569 . . . . 57.47 114.012 179.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' GLY 0.297 54.8 m -50.1 130.89 23.07 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 112.788 -2.006 . . . . 45.08 115.227 -176.942 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.64 -152.7 19.94 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 120.067 -1.063 . . . . 31.31 114.715 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.75 ' HG2' ' OG1' ' A' ' 19' ' ' THR . 34.2 mtpt -125.83 130.39 51.3 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 113.04 -1.58 . . . . 90.0 110.836 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -127.46 160.53 31.19 Favored 'General case' 0 CA--C 1.467 -2.24 0 O-C-N 126.114 2.134 . . . . 39.99 111.645 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . 0.54 ' O ' ' HA ' ' A' ' 120' ' ' PHE 0.284 1.6 t -130.68 160.91 32.86 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 111.529 -2.578 . . . . 32.14 112.605 173.643 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.531 ' HB2' ' N ' ' A' ' 16' ' ' SER 0.665 0.9 OUTLIER -109.4 172.43 6.86 Favored 'General case' 0 CA--C 1.479 -1.752 0 N-CA-C 116.091 1.885 . . . . 64.67 116.091 -175.678 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -75.61 -20.25 58.68 Favored 'General case' 0 N--CA 1.412 -2.375 0 CA-C-N 111.759 -2.473 . . . . 50.56 110.829 171.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' H ' ' HB3' ' A' ' 12' ' ' ASN 0.26 4.1 mt -97.28 -0.13 47.12 Favored 'General case' 0 C--O 1.269 2.118 0 C-N-CA 113.961 -3.096 . . . . 40.94 107.243 177.137 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.491 ' H ' ' HB3' ' A' ' 12' ' ' ASN . . . 93.21 16.32 47.6 Favored Glycine 0 C--N 1.365 2.175 0 CA-C-O 125.435 2.686 . . . . 27.02 111.766 179.132 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . 0.531 ' N ' ' HB2' ' A' ' 12' ' ' ASN . 5.1 m -79.17 149.86 31.86 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 118.013 -3.051 . . . . 39.16 110.007 177.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -120.85 151.48 39.58 Favored 'General case' 0 CA--C 1.486 -1.488 0 O-C-N 120.073 -1.642 . . . . 90.0 109.776 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 20' ' ' ILE . 8.2 ptt? -150.0 137.83 20.12 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 124.47 1.106 . . . . 31.87 111.767 179.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.75 ' OG1' ' HG2' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -118.37 123.76 46.08 Favored 'General case' 0 C--O 1.275 2.414 0 CA-C-O 125.405 2.526 . . . . 46.5 110.893 -177.975 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 20' ' ' ILE . 1.2 mt -118.45 122.62 69.97 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 CA-C-N 110.3 -3.136 . . . . 41.73 116.013 -174.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 7' ' ' THR . . . -55.93 -153.74 0.01 OUTLIER Glycine 0 C--N 1.35 1.321 0 O-C-N 126.52 2.387 . . . . 42.17 112.246 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.24 146.17 29.66 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-O 116.889 -1.529 . . . . 46.65 108.135 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.727 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.2 t -95.35 159.89 2.83 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.505 0 O-C-N 125.979 2.049 . . . . 52.57 111.85 -178.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' HG12 ' A' ' 23' ' ' VAL . 7.2 m120 -108.53 -169.01 1.43 Allowed 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 114.508 1.299 . . . . 90.0 114.508 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -70.91 -35.35 72.23 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-N 110.625 -2.989 . . . . 51.43 106.849 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 4.59 30.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 126.072 2.108 . . . . 72.17 111.623 177.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.48 21.59 72.61 Favored Glycine 0 CA--C 1.549 2.211 0 C-N-CA 126.328 1.918 . . . . 52.57 116.482 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.727 ' O ' ' HA ' ' A' ' 23' ' ' VAL 0.494 0.0 OUTLIER -83.42 157.48 22.46 Favored 'General case' 0 CA--C 1.475 -1.911 0 N-CA-C 116.125 1.898 . . . . 90.0 116.125 -179.548 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -164.86 167.29 18.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 112.382 -2.19 . . . . 44.38 110.34 -175.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.92 170.29 20.75 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 105.597 -2.001 . . . . 71.13 105.597 -176.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' HA3' ' O ' ' A' ' 19' ' ' THR . . . 173.03 -162.86 34.39 Favored Glycine 0 CA--C 1.488 -1.624 0 C-N-CA 116.644 -2.694 . . . . 20.06 106.706 -175.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -138.93 154.75 48.37 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 119.223 -0.991 . . . . 25.69 110.076 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -124.71 134.71 52.75 Favored 'General case' 0 C--O 1.263 1.771 0 O-C-N 126.573 2.421 . . . . 26.05 113.275 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 517' ' ' HOH . 0.8 OUTLIER -124.71 102.88 7.8 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-O 126.091 2.853 . . . . 37.27 110.441 170.558 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 35' ' ' THR . 14.7 t -83.56 133.01 34.88 Favored 'General case' 0 N--CA 1.4 -2.971 0 O-C-N 119.757 -1.84 . . . . 26.43 110.363 -177.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.75 -33.99 76.84 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 126.272 2.233 . . . . 35.24 112.499 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.62 159.3 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.058 0 CA-C-O 121.746 0.784 . . . . 37.39 110.76 -176.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.68 161.23 38.25 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-O 124.525 2.107 . . . . 53.34 111.272 179.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.46 -4.99 16.82 Favored 'General case' 0 CA--C 1.479 -1.773 0 CA-C-N 113.078 -1.874 . . . . 51.67 109.934 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.686 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -108.57 145.07 35.4 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 125.154 1.534 . . . . 56.22 112.242 179.672 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . 0.585 ' N ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -80.46 89.7 5.62 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.257 -2.868 . . . . 54.91 103.257 174.195 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.686 ' HB2' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -176.06 111.87 0.11 Allowed 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 117.49 -1.684 . . . . 81.23 114.767 -176.774 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -27.0 101.98 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.779 2.14 . . . . 53.05 116.779 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 35' ' ' THR . 3.8 mt -50.65 143.49 2.47 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 C-N-CA 126.737 2.015 . . . . 40.34 111.519 178.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.715 ' HG3' ' HB3' ' A' ' 72' ' ' PHE . 4.8 mtmt -139.54 163.78 31.63 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 125.513 1.525 . . . . 90.0 111.047 -179.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -76.1 131.04 39.19 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 105.413 -2.069 . . . . 61.19 105.413 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.7 m -131.11 158.27 75.68 Favored Pre-proline 0 N--CA 1.424 -1.75 0 CA-C-O 117.194 -1.384 . . . . 35.66 107.4 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -80.71 153.27 19.97 Favored 'Trans proline' 0 CA--C 1.567 2.172 1 C-N-CA 128.041 5.827 . . . . 21.81 118.476 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.2 151.28 47.55 Favored 'General case' 0 N--CA 1.412 -2.353 0 O-C-N 120.512 -1.367 . . . . 35.3 108.322 174.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -136.42 125.29 24.11 Favored 'General case' 0 N--CA 1.424 -1.761 0 O-C-N 127.024 2.702 . . . . 57.44 104.132 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.46 -150.58 6.52 Favored Glycine 0 N--CA 1.427 -1.964 0 C-N-CA 119.472 -1.347 . . . . 39.69 114.996 -175.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 52' ' ' THR 0.305 0.4 OUTLIER -178.28 146.15 0.37 Allowed 'General case' 0 C--O 1.252 1.231 0 CA-C-N 112.401 -1.9 . . . . 41.8 108.126 -174.757 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -140.08 124.45 17.92 Favored 'General case' 0 N--CA 1.419 -2.007 0 CA-C-O 123.38 1.562 . . . . 47.64 108.81 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.5 HD21 ' HB ' ' A' ' 56' ' ' ILE . 1.2 t30 -56.63 137.8 53.38 Favored 'General case' 0 CA--C 1.462 -2.434 0 CA-C-N 110.66 -2.973 . . . . 55.74 111.974 -173.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.26 10.47 Favored 'General case' 0 CA--C 1.574 1.896 1 O-C-N 129.769 4.418 . . . . 38.23 117.813 177.748 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.5 ' HB ' HD21 ' A' ' 54' ' ' ASN . 1.9 mp -45.81 147.04 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 C-N-CA 124.397 1.079 . . . . 90.0 113.773 176.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -47.12 92.04 0.01 OUTLIER 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.362 2.265 . . . . 71.39 116.786 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.76 17.84 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 102.461 -3.163 . . . . 67.33 102.461 177.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.416 ' H ' ' HG3' ' A' ' 59' ' ' ARG . 2.4 mtp-105 -20.67 -84.51 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 109.319 -3.582 . . . . 90.0 116.326 174.457 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 m -17.84 -56.89 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.615 1.339 . . . . 69.01 114.615 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HB3' ' O ' ' A' ' 83' ' ' CYS . 7.1 mt-30 -131.44 97.65 19.29 Favored Pre-proline 0 CA--C 1.494 -1.175 0 CA-C-O 124.017 1.865 . . . . 54.23 109.438 -177.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -91.26 159.6 3.76 Favored 'Trans proline' 0 C--N 1.266 -3.805 0 N-CA-C 114.947 1.095 . . . . 33.69 114.947 -175.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.604 HG22 ' HG3' ' A' ' 82' ' ' GLN . 60.4 p -93.06 169.58 10.31 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 102.825 -3.028 . . . . 31.3 102.825 175.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 10.0 p90 -168.33 -178.0 3.43 Favored 'General case' 0 N--CA 1.411 -2.385 0 C-N-CA 118.246 -1.381 . . . . 35.39 107.778 -177.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.97 138.81 4.32 Favored Glycine 0 C--O 1.214 -1.153 0 O-C-N 125.39 1.682 . . . . 20.62 115.194 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CE1' ' CD1' ' A' ' 79' ' ' PHE . 39.2 p90 -132.56 169.85 16.02 Favored 'General case' 0 N--CA 1.419 -2.02 0 O-C-N 121.473 -1.016 . . . . 20.4 110.715 179.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.258 7.7 m -127.94 143.47 51.1 Favored 'General case' 0 CA--C 1.462 -2.422 0 N-CA-C 102.964 -2.976 . . . . 29.78 102.964 -178.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.58 123.85 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.171 0 O-C-N 128.04 3.338 . . . . 19.56 108.084 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.08 85.7 4.4 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 126.798 2.561 . . . . 83.49 113.263 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -48.22 123.08 5.89 Favored 'General case' 0 C--O 1.258 1.542 0 CA-C-O 123.562 1.649 . . . . 41.64 110.732 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -85.19 -10.2 56.93 Favored 'General case' 0 C--O 1.19 -2.053 0 CA-C-N 112.226 -2.261 . . . . 90.0 106.864 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.715 ' HB3' ' HG3' ' A' ' 45' ' ' LYS . 45.0 p90 -123.78 23.98 8.54 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 114.201 1.185 . . . . 32.29 114.201 -172.864 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -166.62 171.43 11.66 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 108.506 -0.924 . . . . 38.82 108.506 179.146 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 73' ' ' SER . 29.0 mt-10 -91.67 5.34 50.1 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.083 -1.047 . . . . 73.81 112.835 -177.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . 0.513 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 2.9 m -99.81 172.23 7.38 Favored 'General case' 0 C--O 1.276 2.481 0 CA-C-O 124.143 1.925 . . . . 43.97 115.494 -177.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 77' ' ' THR . 16.5 m -132.88 146.94 52.24 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 109.185 -3.643 . . . . 29.34 110.675 174.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . 0.529 ' N ' HG22 ' A' ' 76' ' ' THR . 97.6 m -127.68 147.14 50.38 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.399 -0.819 . . . . 32.4 109.513 175.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 ' N ' HG22 ' A' ' 77' ' ' THR . 3.6 m -131.69 138.25 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 C-N-CA 117.734 -1.586 . . . . 23.33 111.632 174.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.46 ' CD1' ' CE1' ' A' ' 66' ' ' PHE . 62.2 m-85 -119.74 151.69 38.37 Favored 'General case' 0 CA--C 1.481 -1.688 0 N-CA-C 105.553 -2.018 . . . . 25.67 105.553 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 t -158.37 145.53 17.82 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 103.165 -2.902 . . . . 19.5 103.165 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 176.41 -158.48 24.84 Favored Glycine 0 C--N 1.369 2.362 0 O-C-N 126.178 2.174 . . . . 28.49 112.117 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.604 ' HG3' HG22 ' A' ' 63' ' ' THR . 2.1 tt0 -130.09 144.16 51.19 Favored 'General case' 0 C--O 1.273 2.292 0 O-C-N 125.259 1.211 . . . . 37.95 112.658 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 61' ' ' GLN . 22.4 t -88.87 114.02 25.04 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 126.42 2.325 . . . . 39.72 107.659 172.553 -168.921 -72.682 -79.714 103.731 2.035 98.165 -84.91 -128.188 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 94.5 m-85 -109.72 161.38 15.46 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-O 123.509 1.623 . . . . 45.46 113.625 178.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.566 ' H ' ' NE2' ' A' ' 61' ' ' GLN . 2.4 mt -134.06 93.19 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.442 0 C-N-CA 126.271 1.828 . . . . 75.89 106.966 179.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' OD1' ' HB2' ' A' ' 88' ' ' ASN . 1.5 p30 -43.45 -57.18 3.21 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 123.812 1.767 . . . . 68.81 113.181 -172.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.87 -60.54 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 111.479 -2.601 . . . . 15.0 106.824 -177.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.465 ' HB2' ' OD1' ' A' ' 86' ' ' ASP . 1.7 m-80 -34.17 -39.63 0.08 Allowed 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 112.674 -2.057 . . . . 58.28 111.7 177.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.08 19.86 7.86 Favored Glycine 0 CA--C 1.457 -3.576 0 N-CA-C 103.239 -3.944 . . . . 64.61 103.239 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -84.54 124.82 31.82 Favored 'General case' 0 C--N 1.367 1.337 1 O-C-N 130.396 4.233 . . . . 72.73 107.492 177.009 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.553 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -92.43 148.59 21.99 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 106.839 -1.541 . . . . 90.0 106.839 -179.825 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.28 131.54 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.221 0 O-C-N 125.639 1.837 . . . . 47.63 111.858 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.745 ' HB2' ' HB2' ' A' ' 120' ' ' PHE . 0.6 OUTLIER -97.85 127.02 43.52 Favored 'General case' 0 CA--C 1.477 -1.851 0 N-CA-C 104.354 -2.461 . . . . 31.15 104.354 178.028 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -114.42 113.92 25.15 Favored 'General case' 0 CA--C 1.464 -2.34 0 N-CA-C 103.155 -2.906 . . . . 86.12 103.155 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . 0.405 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 49.9 p -131.68 157.76 42.9 Favored 'General case' 0 CA--C 1.459 -2.531 0 O-C-N 126.958 2.661 . . . . 23.64 109.981 -175.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.86 140.44 44.15 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 127.997 3.31 . . . . 32.14 106.251 -179.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 31.1 p-90 -141.04 165.91 26.24 Favored 'General case' 0 C--O 1.275 2.434 0 O-C-N 118.943 -2.348 . . . . 28.28 109.593 -172.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.274 18.5 mt -125.87 120.58 30.85 Favored 'General case' 0 C--O 1.268 2.073 2 C-N-CA 132.187 4.195 . . . . 17.24 109.249 -175.819 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.6 tp -110.05 115.75 30.32 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.034 -0.985 . . . . 25.8 110.743 179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER -100.74 127.3 47.21 Favored 'General case' 0 CA--C 1.485 -1.554 0 O-C-N 120.589 -1.319 . . . . 31.79 110.373 -177.756 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -100.75 161.77 13.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 110.256 -0.276 . . . . 55.95 110.256 177.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 137.49 32.29 Favored 'General case' 0 C--O 1.195 -1.803 0 C-N-CA 119.746 -0.782 . . . . 71.89 112.503 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.0 m -124.53 156.8 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.364 0 O-C-N 125.086 1.491 . . . . 43.37 109.445 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -93.58 -9.48 37.97 Favored 'General case' 0 C--O 1.251 1.164 1 N-CA-C 121.918 4.044 . . . . 90.0 121.918 -176.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -145.07 135.02 23.74 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 124.802 1.314 . . . . 90.0 108.174 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.438 ' H ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -41.35 -29.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.847 1.203 . . . . 90.0 109.864 177.381 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -53.9 -29.88 43.7 Favored Glycine 0 CA--C 1.479 -2.179 0 C-N-CA 126.742 2.115 . . . . 42.25 113.666 -175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -89.6 -18.31 26.79 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 111.695 -2.253 . . . . 55.55 115.001 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -32.53 -39.69 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.337 0 N-CA-C 114.7 1.37 . . . . 34.55 114.7 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.481 ' CZ2' ' HD3' ' A' ' 111' ' ' LYS 0.361 30.5 p-90 -44.8 -39.9 5.66 Favored 'General case' 0 C--O 1.264 1.836 0 CA-C-N 112.812 -1.995 . . . . 39.93 115.754 -174.323 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HD3' ' CZ2' ' A' ' 110' ' ' TRP . 36.1 pttt -105.74 17.75 23.25 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 117.08 2.252 . . . . 59.84 117.08 -176.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.51 4.4 49.34 Favored 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 115.441 1.645 . . . . 36.88 115.441 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 85.7 m -125.11 123.32 39.46 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 116.691 2.108 . . . . 33.52 116.691 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.66 153.3 23.61 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 126.588 1.955 . . . . 53.0 107.699 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.14 167.28 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 C-N-CA 122.651 0.38 . . . . 25.39 111.088 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 161.68 -170.29 37.36 Favored Glycine 0 N--CA 1.428 -1.894 0 O-C-N 120.906 -1.121 . . . . 14.65 111.187 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 505' ' ' HOH . 0.2 OUTLIER -118.19 -174.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 117.909 2.559 . . . . 41.01 117.909 179.992 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.451 HD22 ' HA ' ' A' ' 118' ' ' ASN . 1.2 m120 -174.92 136.03 0.39 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 111.994 -2.366 . . . . 46.62 113.661 -179.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 12' ' ' ASN 0.262 12.7 mt -114.28 129.77 69.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 CA-C-N 113.264 -1.789 . . . . 41.64 111.671 178.416 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.745 ' HB2' ' HB2' ' A' ' 93' ' ' LEU . 13.9 m-85 -123.49 134.16 53.94 Favored 'General case' 0 C--O 1.262 1.716 0 CA-C-O 123.378 1.561 . . . . 43.16 112.749 -178.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.8 p -136.37 162.98 31.52 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 102.354 -3.202 . . . . 33.57 102.354 174.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.494 ' NH1' ' CD ' ' A' ' 91' ' ' GLU 0.452 0.3 OUTLIER -88.78 158.55 18.12 Favored 'General case' 0 CA--C 1.462 -2.416 0 N-CA-C 118.595 2.813 . . . . 47.52 118.595 -177.182 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 123' ' ' LEU . 5.4 mt -86.02 119.23 26.09 Favored 'General case' 0 C--N 1.366 1.318 2 O-C-N 131.55 5.531 . . . . 90.0 118.036 -177.662 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . 0.259 13.1 ptm180 -59.75 169.84 1.28 Allowed 'General case' 0 C--N 1.386 2.156 0 O-C-N 125.838 1.961 . . . . 58.11 112.953 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.944 -0.571 . . . . 29.75 111.595 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.787 ' HG2' ' OG1' ' B' ' 60' ' ' THR 0.284 20.3 mmmt . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 114.33 1.233 . . . . 90.0 114.33 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.833 ' HB2' ' CG ' ' B' ' 91' ' ' GLU 1.03 0.1 OUTLIER -76.36 120.98 22.36 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 119.481 3.141 . . . . 47.46 119.481 -178.941 106.566 98.489 -168.075 110.188 1.915 95.43 -78.213 -178.463 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p -121.88 146.72 46.83 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 114.245 1.202 . . . . 90.0 114.245 -173.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.274 0.3 OUTLIER -70.33 -36.68 74.4 Favored 'General case' 0 C--N 1.344 0.367 0 O-C-N 125.055 1.472 . . . . 44.44 113.872 -179.985 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m -47.61 123.0 5.3 Favored 'General case' 1 C--O 1.306 4.042 0 N-CA-C 114.834 1.42 . . . . 51.64 114.834 -179.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.61 -166.56 25.55 Favored Glycine 0 C--N 1.396 3.869 0 CA-C-O 124.57 2.206 . . . . 43.14 118.245 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.797 ' HE3' HG21 ' B' ' 19' ' ' THR . 0.0 OUTLIER -99.95 137.73 38.0 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 105.206 -2.146 . . . . 90.0 105.206 175.097 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' B' ' 122' ' ' ARG . 56.6 m95 -140.05 149.62 43.37 Favored 'General case' 0 CA--C 1.465 -2.302 0 N-CA-C 107.008 -1.479 . . . . 59.28 107.008 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' THR . . . . . 0.523 ' HB ' HD12 ' B' ' 123' ' ' LEU . 6.0 t -129.39 150.42 50.75 Favored 'General case' 0 C--O 1.262 1.737 0 O-C-N 126.71 2.506 . . . . 36.79 106.819 174.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.562 HD22 ' CG ' ' B' ' 118' ' ' ASN . 2.8 p-10 -125.61 156.65 38.86 Favored 'General case' 0 CA--C 1.471 -2.07 0 O-C-N 125.246 1.591 . . . . 42.98 110.485 -176.758 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -43.88 7.02 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 119.602 3.186 . . . . 55.89 119.602 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 12' ' ' ASN . 9.4 mt -131.97 9.4 4.52 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 123.459 1.599 . . . . 51.54 108.897 -175.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.41 5.85 89.19 Favored Glycine 0 C--N 1.295 -1.728 0 CA-C-N 113.043 -1.889 . . . . 36.41 113.334 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . 0.866 ' HB3' ' HA ' ' B' ' 35' ' ' THR 0.353 0.8 OUTLIER -85.04 146.37 27.21 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 115.566 -2.454 . . . . 52.91 110.304 177.787 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.76 148.17 43.09 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 123.007 1.384 . . . . 43.32 111.075 177.603 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -143.44 166.52 24.56 Favored 'General case' 0 CA--C 1.486 -1.504 0 C-N-CA 115.402 -2.519 . . . . 30.15 108.958 170.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . 0.797 HG21 ' HE3' ' B' ' 9' ' ' LYS . 1.9 p -139.66 127.62 22.2 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 123.515 1.626 . . . . 86.35 111.696 -177.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.64 173.32 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 CA-C-N 111.375 -2.648 . . . . 60.05 111.836 -179.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -160.85 -77.67 0.03 OUTLIER Glycine 0 C--N 1.296 -1.689 0 O-C-N 117.46 -3.275 . . . . 48.07 112.148 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' B' ' 29' ' ' PHE . . . -49.44 161.47 0.19 Allowed 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 113.141 -1.53 . . . . 40.28 112.251 -179.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.616 HG12 ' O ' ' B' ' 23' ' ' VAL 0.342 47.7 t -178.76 81.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-N 114.482 -1.235 . . . . 48.38 110.372 169.052 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.56 ' OD1' ' HB2' ' B' ' 28' ' ' GLU 0.285 1.7 m120 -49.47 178.03 0.01 OUTLIER 'General case' 0 N--CA 1.41 -2.432 0 CA-C-O 124.082 1.896 . . . . 90.0 111.114 175.444 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -8.75 57.69 Favored 'General case' 0 N--CA 1.404 -2.737 0 CA-C-N 111.062 -2.79 . . . . 90.0 105.799 171.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.555 ' H ' ' HB2' ' B' ' 24' ' ' ASN . 13.1 mtt-85 -81.24 -50.42 9.58 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 122.38 1.086 . . . . 78.65 110.393 176.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.1 0.82 7.51 Favored Glycine 0 N--CA 1.427 -1.925 0 CA-C-N 113.354 -1.748 . . . . 46.82 110.374 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.56 ' HB2' ' OD1' ' B' ' 24' ' ' ASN . 0.7 OUTLIER -73.43 144.85 46.15 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 113.513 -1.344 . . . . 82.88 111.595 179.15 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.753 ' CE1' ' HA3' ' B' ' 51' ' ' GLY . 12.4 p90 -156.2 151.06 26.13 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 125.704 1.602 . . . . 46.52 109.321 177.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . 0.486 ' HA ' ' O ' ' B' ' 49' ' ' LEU 0.293 0.6 OUTLIER -124.01 166.36 15.86 Favored 'General case' 0 CA--C 1.48 -1.723 0 N-CA-C 103.353 -2.832 . . . . 48.49 103.353 176.983 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.36 44.19 Favored Glycine 0 CA--C 1.475 -2.438 0 O-C-N 126.546 2.404 . . . . 50.26 108.14 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p -124.56 154.32 40.8 Favored 'General case' 0 CA--C 1.475 -1.942 0 N-CA-C 104.476 -2.416 . . . . 40.98 104.476 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -135.02 128.49 32.44 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 127.704 3.127 . . . . 38.76 109.984 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.97 104.9 11.33 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 125.636 1.835 . . . . 68.62 109.428 176.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' THR . . . . . 0.866 ' HA ' ' HB3' ' B' ' 16' ' ' SER . 4.1 t -85.71 144.29 27.88 Favored 'General case' 0 CA--C 1.454 -2.729 0 CA-C-N 114.611 -1.177 . . . . 43.87 109.036 -176.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . 0.262 . . -84.75 -29.71 25.27 Favored 'General case' 0 N--CA 1.433 -1.298 0 O-C-N 125.965 2.041 . . . . 50.15 108.972 178.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 38' ' ' THR . 15.6 m -114.12 167.63 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-N 113.124 -1.853 . . . . 52.82 113.654 -173.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' THR . . . . . 0.955 HG21 ' CE2' ' B' ' 72' ' ' PHE 0.516 2.2 p -160.92 154.9 22.64 Favored 'General case' 0 C--O 1.278 2.571 0 N-CA-C 121.226 3.787 . . . . 38.48 121.226 175.537 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.63 -13.33 20.4 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 111.199 -2.728 . . . . 57.47 112.115 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.15 157.93 16.66 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 111.47 -2.605 . . . . 71.34 112.466 -179.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -104.29 42.7 1.16 Allowed 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 114.33 -1.305 . . . . 90.0 112.298 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -129.6 128.67 43.14 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 125.45 1.719 . . . . 54.18 111.913 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -38.19 126.67 1.33 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 124.546 2.117 . . . . 90.0 114.096 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.36 143.25 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.73 0 CA-C-N 112.619 -2.082 . . . . 67.21 109.98 -176.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.38 138.33 38.16 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.643 -1.162 . . . . 71.23 108.205 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -37.79 135.37 0.64 Allowed 'General case' 0 C--O 1.254 1.329 0 O-C-N 123.883 0.739 . . . . 90.0 109.35 174.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . 0.622 0.0 OUTLIER -128.89 159.35 68.95 Favored Pre-proline 0 C--O 1.246 0.891 0 N-CA-C 114.781 1.4 . . . . 43.0 114.781 175.406 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -96.84 151.96 1.1 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 CA-C-O 123.852 1.521 . . . . 29.03 114.906 -174.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.558 ' C ' HD12 ' B' ' 49' ' ' LEU . 2.8 pp -132.91 151.91 51.97 Favored 'General case' 0 N--CA 1.382 -3.857 0 C-N-CA 115.411 -2.516 . . . . 30.4 111.261 -179.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -125.78 126.46 44.59 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.081 -2.327 . . . . 77.01 111.011 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.753 ' HA3' ' CE1' ' B' ' 29' ' ' PHE . . . -144.44 179.64 21.54 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 126.731 2.519 . . . . 35.23 118.621 -178.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' THR . . . . . 0.489 HG22 ' N ' ' B' ' 53' ' ' GLU . 6.7 m -148.16 151.46 35.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.284 -1.958 . . . . 90.0 111.655 -177.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.489 ' N ' HG22 ' B' ' 52' ' ' THR . 2.7 tt0 -122.28 135.91 54.82 Favored 'General case' 0 C--O 1.261 1.658 0 O-C-N 126.258 2.224 . . . . 82.49 110.58 -179.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.53 132.39 34.53 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 118.654 -1.218 . . . . 52.37 108.731 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . 0.276 0.8 OUTLIER -123.52 16.83 9.66 Favored 'General case' 0 CA--C 1.464 -2.352 0 CA-C-O 118.194 -0.908 . . . . 58.4 112.056 -176.924 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -80.66 111.67 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 O-C-N 126.669 2.481 . . . . 44.83 109.445 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.53 50.72 0.9 Allowed 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 105.208 -2.145 . . . . 90.0 105.208 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -21.44 85.64 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.913 2.008 . . . . 64.69 114.998 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.23 151.51 24.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 122.007 0.908 . . . . 77.16 112.206 176.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' THR . . . . . 0.787 ' OG1' ' HG2' ' B' ' 3' ' ' LYS . 0.8 OUTLIER -66.56 -13.29 60.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.992 2.117 . . . . 72.47 113.228 176.876 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' B' ' 83' ' ' CYS . 21.7 mt-30 -135.25 72.03 66.69 Favored Pre-proline 0 N--CA 1.439 -0.997 0 CA-C-N 113.224 -1.807 . . . . 59.1 111.397 176.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.88 162.32 42.29 Favored 'Trans proline' 0 C--N 1.309 -1.553 0 O-C-N 118.563 -1.335 . . . . 33.73 114.415 -176.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 46.0 p -93.41 169.14 10.59 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 116.811 -1.956 . . . . 39.17 106.048 174.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.443 ' O ' ' CG2' ' B' ' 80' ' ' THR . 50.9 p90 -156.55 -173.22 4.39 Favored 'General case' 0 C--O 1.194 -1.862 0 C-N-CA 117.046 -1.861 . . . . 26.78 109.547 -179.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.46 142.79 6.34 Favored Glycine 0 N--CA 1.42 -2.43 0 O-C-N 124.634 1.209 . . . . 24.13 113.699 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -142.14 157.93 44.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 125.077 2.37 . . . . 30.95 115.397 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -118.21 127.81 54.1 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 113.942 -1.481 . . . . 35.79 108.516 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.464 HG11 ' CH2' ' B' ' 70' ' ' TRP . 58.1 t -104.99 112.19 37.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 126.755 2.022 . . . . 33.01 106.666 -179.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -90.06 86.66 6.63 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.504 -1.225 . . . . 63.25 109.945 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' TRP . . . . . 0.464 ' CH2' HG11 ' B' ' 68' ' ' VAL . 88.9 m95 -45.45 127.93 7.69 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.031 -0.986 . . . . 48.67 113.347 -179.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . 0.268 2.6 tptt -86.1 -27.29 24.77 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.286 -0.87 . . . . 90.0 113.062 177.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.955 ' CE2' HG21 ' B' ' 38' ' ' THR . 3.7 p90 -95.03 4.98 53.17 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 115.25 1.574 . . . . 42.77 115.25 -178.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -140.61 170.1 16.41 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 113.989 1.107 . . . . 44.15 113.989 -171.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.8 17.78 17.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 113.165 -3.414 . . . . 90.0 109.337 173.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . 0.75 ' HB3' ' HA ' ' B' ' 101' ' ' SER 0.393 0.4 OUTLIER -108.84 173.17 6.44 Favored 'General case' 0 CA--C 1.455 -2.698 0 N-CA-C 115.096 1.517 . . . . 29.78 115.096 -176.147 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 90.4 m -134.72 145.56 48.6 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 127.0 2.688 . . . . 36.34 112.508 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 44.8 m -126.03 140.19 52.8 Favored 'General case' 0 C--O 1.194 -1.861 0 O-C-N 124.818 1.324 . . . . 29.8 113.031 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.23 142.13 44.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 119.503 -1.998 . . . . 39.05 105.732 177.047 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -125.27 150.49 47.02 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.311 1.844 . . . . 24.05 112.419 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' B' ' 64' ' ' PHE . 0.2 OUTLIER -151.28 153.79 35.52 Favored 'General case' 0 C--O 1.302 3.852 0 N-CA-C 102.397 -3.186 . . . . 38.2 102.397 172.032 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.08 33.19 Favored Glycine 0 N--CA 1.417 -2.571 0 O-C-N 128.57 3.669 . . . . 34.26 113.638 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -127.97 156.07 43.26 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 125.706 2.669 . . . . 53.36 110.575 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' B' ' 61' ' ' GLN . 52.2 t -108.18 112.24 24.64 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 104.712 -2.329 . . . . 32.12 104.712 178.801 -178.463 -78.213 -168.075 95.43 1.915 110.188 98.489 106.566 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' B' ' 91' ' ' GLU . 96.5 m-85 -113.41 160.06 18.82 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-O 124.846 2.26 . . . . 38.43 110.03 -179.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.742 HD11 ' HB3' ' B' ' 4' ' ' CYS . 45.4 mm -103.1 105.99 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.804 0 CA-C-N 111.333 -2.667 . . . . 31.19 107.365 172.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.88 165.41 25.18 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 113.959 -1.473 . . . . 81.78 107.713 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -59.58 -38.88 82.36 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-N 114.341 -1.3 . . . . 51.35 113.293 -176.345 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -54.03 -22.81 11.49 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 122.569 1.175 . . . . 51.04 110.328 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.88 -6.16 40.39 Favored Glycine 0 C--O 1.209 -1.435 0 N-CA-C 109.13 -1.588 . . . . 42.08 109.13 -173.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -84.04 138.31 33.15 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 115.061 1.504 . . . . 90.0 115.061 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.833 ' CG ' ' HB2' ' B' ' 4' ' ' CYS 0.322 0.1 OUTLIER -72.1 134.87 46.03 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 111.106 -2.77 . . . . 52.57 106.267 173.808 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . 0.267 2.7 t -136.63 129.5 45.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 C-N-CA 125.262 1.425 . . . . 75.77 108.41 177.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.851 ' HB2' ' HB2' ' B' ' 120' ' ' PHE . 2.8 mp -98.43 113.09 24.96 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.458 -0.571 . . . . 86.28 109.458 174.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -101.43 124.66 47.45 Favored 'General case' 0 CA--C 1.452 -2.801 0 N-CA-C 104.074 -2.565 . . . . 90.0 104.074 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' THR . . . . . 0.663 ' HB ' ' O ' ' B' ' 118' ' ' ASN 0.352 0.9 OUTLIER -137.57 162.52 33.54 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 125.445 1.715 . . . . 28.83 115.293 -168.281 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 150.61 36.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.391 -1.277 . . . . 27.97 107.936 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TRP . . . . . 0.429 ' O ' ' HA ' ' B' ' 115' ' ' VAL . 61.2 p-90 -147.5 164.81 32.22 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 119.268 3.062 . . . . 27.54 119.268 -176.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.9 mt -124.82 131.59 53.43 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 112.084 -2.326 . . . . 18.24 106.956 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.49 ' O ' ' HG ' ' B' ' 99' ' ' LEU . 0.2 OUTLIER -118.39 108.25 14.83 Favored 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 107.298 -1.371 . . . . 25.12 107.298 178.51 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.426 ' NH2' ' OD1' ' B' ' 109' ' ' ASP . 1.8 tpp180 -100.47 128.31 46.57 Favored 'General case' 0 CA--C 1.498 -1.036 0 O-C-N 126.831 2.582 . . . . 29.99 112.96 -176.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SER . . . . . 0.75 ' HA ' ' HB3' ' B' ' 75' ' ' SER . 52.9 p -119.7 166.6 12.99 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 113.913 -1.494 . . . . 31.91 112.138 -179.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.57 132.99 33.76 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 116.432 2.012 . . . . 90.0 116.432 -173.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.5 155.67 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 N-CA-C 105.84 -1.911 . . . . 34.81 105.84 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -84.2 -8.74 58.97 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 124.241 0.963 . . . . 61.26 111.677 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -152.82 139.03 18.35 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 122.445 1.117 . . . . 90.0 112.015 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.613 ' O ' HG13 ' B' ' 106' ' ' ILE 0.407 0.0 OUTLIER -63.16 2.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 117.589 2.441 . . . . 62.12 117.589 -174.732 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.11 -17.47 50.77 Favored Glycine 0 CA--C 1.471 -2.704 0 N-CA-C 105.981 -2.848 . . . . 47.89 105.981 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 108' ' ' ASP . 19.6 m-20 -101.69 9.9 40.57 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.585 0.957 . . . . 63.04 113.585 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.426 ' OD1' ' NH2' ' B' ' 100' ' ' ARG . 24.6 t70 -53.79 -47.58 70.63 Favored 'General case' 0 C--O 1.261 1.68 0 CA-C-O 123.227 1.489 . . . . 27.13 113.961 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' TRP . . . . . 0.416 ' CE2' ' HB3' ' B' ' 111' ' ' LYS . 31.8 p-90 -53.98 -12.45 0.58 Allowed 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.724 -1.58 . . . . 31.41 115.13 -172.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 111' ' ' LYS . 0.0 OUTLIER -115.85 16.03 16.28 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 114.397 -2.921 . . . . 52.17 113.315 -177.46 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -90.5 -10.72 42.58 Favored 'General case' 0 CA--C 1.559 1.301 1 N-CA-C 122.066 4.099 . . . . 30.79 122.066 -178.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 97.7 m -113.77 125.6 54.28 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 118.993 -2.317 . . . . 32.96 114.682 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -99.47 159.75 14.79 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 125.01 1.443 . . . . 58.37 107.911 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' B' ' 97' ' ' TRP . 7.2 p -142.72 142.13 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.934 0 O-C-N 123.755 0.659 . . . . 17.69 109.375 -177.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.81 -170.55 30.88 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-O 117.532 -1.704 . . . . 23.92 109.226 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.594 HG12 HD12 ' A' ' 117' ' ' ILE 0.283 0.9 OUTLIER -122.9 164.28 20.5 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 129.104 2.962 . . . . 90.0 110.35 -176.463 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.663 ' O ' ' HB ' ' B' ' 95' ' ' THR 0.336 27.2 m-20 -164.16 132.78 3.64 Favored 'General case' 0 N--CA 1.52 3.046 0 C-N-CA 128.673 2.789 . . . . 39.75 112.94 173.37 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mt -115.19 119.5 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.558 0 CA-C-O 118.26 -0.876 . . . . 33.01 109.174 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.851 ' HB2' ' HB2' ' B' ' 93' ' ' LEU . 72.1 m-85 -101.08 145.57 28.57 Favored 'General case' 0 C--O 1.261 1.674 0 O-C-N 128.969 3.918 . . . . 35.51 114.05 -179.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.34 162.87 31.83 Favored 'General case' 0 C--O 1.268 2.051 0 CA-C-N 110.181 -3.19 . . . . 46.81 112.288 -176.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.417 ' HG2' ' CZ3' ' B' ' 10' ' ' TRP 0.323 0.0 OUTLIER -79.86 129.93 34.89 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 114.682 -2.807 . . . . 75.16 113.313 -178.385 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.523 HD12 ' HB ' ' B' ' 11' ' ' THR . 0.5 OUTLIER -81.32 -46.37 14.82 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 124.935 1.397 . . . . 65.57 112.911 179.111 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.55 146.04 1.63 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.794 -1.094 . . . . 90.0 109.39 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.627 -1.169 . . . . 37.37 111.32 178.781 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 600' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . 0.652 ' O ' HD13 ' A' ' 117' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . 0.554 ' O ' ' HA ' ' A' ' 34' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 523' ' ' HOH . . . . . 0.748 ' O ' HG22 ' B' ' 38' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_