data_1irv_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 1irv _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.438 -1.026 0 CA-C-O 123.958 1.837 . . . . 48.34 111.022 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . 0.253 1.8 mt-10 -127.66 14.09 6.98 Favored 'General case' 0 N--CA 1.484 1.248 1 CA-C-N 107.055 -4.612 . . . . 45.34 105.843 178.691 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . 0.585 ' CD2' ' OE1' ' A' ' 61' ' ' GLU . 35.7 t80 -117.64 128.38 54.87 Favored 'General case' 0 C--O 1.257 1.5 0 CA-C-N 112.203 -2.271 . . . . 49.69 112.237 176.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 122.66 44.91 Favored 'General case' 0 C--O 1.252 1.231 0 O-C-N 125.435 1.71 . . . . 36.54 108.343 175.964 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -47.51 163.94 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.952 3.739 . . . . 24.56 108.42 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -154.88 -160.61 9.99 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 109.651 -3.432 . . . . 23.28 107.547 -175.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -79.33 114.99 18.7 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 128.707 3.239 . . . . 18.65 112.099 -175.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.88 85.67 Favored 'General case' 0 C--O 1.202 -1.435 1 O-C-N 129.241 4.088 . . . . 18.06 109.969 177.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -76.49 -22.0 55.07 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 117.297 -1.335 . . . . 38.82 107.636 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' CD ' ' OD2' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -77.24 -43.39 33.69 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 127.865 3.228 . . . . 21.75 104.57 179.366 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.62 -56.02 27.38 Favored Glycine 0 CA--C 1.551 2.295 0 CA-C-O 116.727 -2.152 . . . . 19.22 111.758 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 0.261 . . -36.84 -49.46 0.8 Allowed 'General case' 0 N--CA 1.397 -3.101 1 C-N-CA 131.969 4.108 . . . . 14.77 109.278 -179.171 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 p -71.81 -50.95 25.22 Favored 'General case' 0 C--O 1.274 2.368 1 O-C-N 131.586 5.554 . . . . 12.86 114.652 -179.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -47.35 -56.24 7.26 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 104.811 -2.292 . . . . 18.81 104.811 179.104 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . 0.312 4.0 t80 -52.87 -41.84 64.69 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 113.495 -3.145 . . . . 12.03 112.079 -176.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' NZ ' ' OH ' ' A' ' 97' ' ' TYR . 29.4 mmtt -60.39 -66.87 0.46 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 128.017 3.323 . . . . 30.11 106.185 178.024 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -55.63 -15.61 3.17 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 126.225 1.81 . . . . 25.12 114.172 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LEU 0.307 4.1 mmm180 -125.48 -18.83 5.17 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 117.932 2.567 . . . . 38.62 117.932 -179.039 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.93 -0.25 1.51 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 123.012 2.642 . . . . 11.28 113.806 -177.063 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.293 3.4 tp -68.6 -35.44 77.35 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 127.664 3.602 . . . . 7.83 105.337 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -37.58 -45.91 0.8 Allowed 'General case' 0 C--O 1.281 2.756 1 CA-C-N 103.497 -6.229 . . . . 26.4 105.98 178.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' GLY . 7.2 m -129.11 10.97 5.92 Favored 'General case' 0 C--O 1.26 1.621 0 C-N-CA 114.259 -2.976 . . . . 11.17 110.608 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.294 77.8 m-70 -155.74 153.52 30.04 Favored 'General case' 1 N--CA 1.543 4.19 0 O-C-N 127.254 2.846 . . . . 10.53 108.592 -175.077 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . 0.578 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 32.5 p -119.58 146.76 45.22 Favored 'General case' 0 N--CA 1.402 -2.866 2 C-N-CA 136.895 6.078 . . . . 7.53 105.829 175.886 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.0 m -106.64 -32.02 2.61 Favored 'Isoleucine or valine' 0 C--O 1.3 3.731 0 N-CA-C 121.358 3.836 . . . . 6.44 121.358 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 1.1 pm0 -72.97 153.55 40.9 Favored 'General case' 0 C--N 1.267 -3.019 0 O-C-N 119.105 -2.247 . . . . 28.5 112.276 -175.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' N ' ' ND1' ' A' ' 33' ' ' HIS 0.258 0.0 OUTLIER -65.81 126.85 29.78 Favored 'General case' 0 N--CA 1.479 1.014 1 O-C-N 129.361 4.163 . . . . 23.2 106.85 177.836 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 133' ' ' HOH . . . 87.62 12.2 67.23 Favored Glycine 0 C--N 1.36 1.897 0 C-N-CA 115.881 -3.057 . . . . 21.29 111.667 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.58 157.68 21.89 Favored Glycine 2 N--CA 1.522 4.422 1 N-CA-C 99.259 -5.536 . . . . 19.52 99.259 175.742 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -91.01 161.61 3.91 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 O-C-N 125.067 2.088 . . . . 14.41 116.958 -176.294 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 76.0 m-70 -77.03 153.63 34.25 Favored 'General case' 0 N--CA 1.517 2.884 1 C-N-CA 111.583 -4.047 . . . . 16.56 103.03 173.523 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -130.64 -141.49 0.23 Allowed 'General case' 1 C--O 1.31 4.27 0 N-CA-C 102.574 -3.121 . . . . 13.25 102.574 179.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.359 2.9 t -51.73 -55.75 8.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.139 0 CA-C-O 126.489 3.043 . . . . 6.24 111.484 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -99.86 166.71 20.44 Favored Glycine 1 C--N 1.423 5.401 0 N-CA-C 105.669 -2.972 . . . . 5.2 105.669 175.329 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.63 165.34 9.87 Favored 'Trans proline' 0 C--O 1.27 2.117 0 C-N-CA 123.204 2.603 . . . . 5.59 115.565 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.578 ' ND2' ' OG1' ' A' ' 19' ' ' THR 0.398 3.7 t-20 -79.24 144.55 34.24 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 128.001 3.762 . . . . 7.29 106.857 174.997 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.367 47.6 mt -90.23 -16.53 29.22 Favored 'General case' 1 C--O 1.318 4.664 0 C-N-CA 112.756 -3.578 . . . . 11.06 119.195 -176.303 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 22' ' ' LYS . 1.6 t60 -46.39 132.41 10.34 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-O 123.834 1.778 . . . . 16.74 113.441 -179.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.6 38.33 94.83 Favored Glycine 0 C--O 1.263 1.954 1 C-N-CA 131.696 4.474 . . . . 15.64 110.761 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 tp -61.59 -52.12 64.79 Favored 'Isoleucine or valine' 0 C--O 1.285 2.935 1 CA-C-O 128.782 4.134 . . . . 14.33 117.214 179.507 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.565 1.3 m-85 -67.63 137.92 55.99 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 116.702 -3.749 . . . . 16.71 113.617 -173.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 87.62 -13.46 60.55 Favored Glycine 0 CA--C 1.572 3.62 1 O-C-N 129.382 4.176 . . . . 23.42 104.665 -179.945 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 2.4 ttp180 -90.15 142.09 28.06 Favored 'General case' 0 CA--C 1.551 1.0 1 O-C-N 130.592 4.348 . . . . 26.49 108.85 177.138 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -84.83 146.49 27.31 Favored 'General case' 0 CA--C 1.557 1.218 0 O-C-N 127.827 3.204 . . . . 29.84 108.154 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.2 p -53.19 136.52 36.11 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-O 127.924 3.726 . . . . 23.2 114.34 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . 0.575 ' C ' ' CE2' ' A' ' 48' ' ' TYR . . . 55.42 53.13 43.13 Favored Glycine 0 C--O 1.28 2.984 0 CA-C-N 112.079 -2.328 . . . . 21.32 117.973 -178.848 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.98 6.04 7.98 Favored 'General case' 0 C--O 1.28 2.669 0 O-C-N 118.358 -2.848 . . . . 31.22 118.65 -176.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.51 132.87 43.37 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 104.118 -2.549 . . . . 14.74 104.118 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.26 1.2 pt-20 -78.1 136.63 37.92 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 125.509 1.755 . . . . 24.05 107.941 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.59 8.23 59.74 Favored Glycine 0 C--O 1.281 3.069 1 O-C-N 130.721 5.013 . . . . 12.46 111.216 177.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -126.77 138.87 53.43 Favored 'General case' 0 C--O 1.27 2.159 0 O-C-N 128.561 3.154 . . . . 10.34 111.501 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.6 t -100.52 103.13 14.46 Favored 'General case' 0 C--N 1.32 -0.701 1 CA-C-O 129.943 4.687 . . . . 22.43 109.093 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE2' ' C ' ' A' ' 41' ' ' GLY . 71.0 m-85 -99.4 138.85 35.91 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 109.274 -3.603 . . . . 27.24 107.314 -176.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . 0.403 ' N ' ' O1D' ' A' ' 104' ' ' HEM 0.28 5.0 p -38.42 158.44 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.159 1 O-C-N 130.447 4.842 . . . . 19.14 104.68 173.416 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.314 8.1 t0 -76.86 -25.64 53.37 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 108.735 -3.848 . . . . 38.79 105.371 -178.137 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 301' ' ' HOH . . . -60.17 -57.46 12.7 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 128.195 3.434 . . . . 28.13 110.719 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.9 -63.1 1.26 Allowed 'General case' 0 C--O 1.247 0.966 1 O-C-N 129.974 4.546 . . . . 22.67 108.306 179.329 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.5 mt -39.61 -43.43 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.282 2.784 0 N-CA-C 117.521 2.415 . . . . 24.77 117.521 -178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -90.56 0.42 57.35 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.893 1.371 . . . . 24.65 114.181 -175.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -23.92 58.73 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.259 -1.015 . . . . 33.68 108.259 178.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.47 1.7 t-20 37.37 30.05 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.18 1 C-N-CA 135.811 5.644 . . . . 36.58 112.232 -177.637 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -48.29 139.76 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 111.517 -2.583 . . . . 39.42 106.6 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mt -106.1 105.31 15.29 Favored 'General case' 0 C--N 1.297 -1.689 1 O-C-N 130.312 4.758 . . . . 40.63 104.498 176.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . 0.663 ' O ' ' N ' ' A' ' 37' ' ' GLY . 23.9 m95 -72.49 103.79 3.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 124.974 2.321 . . . . 35.02 115.16 -177.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.716 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 8.4 p30 -137.59 136.87 37.96 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 113.526 -3.131 . . . . 28.81 106.997 179.481 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . 0.585 ' OE1' ' CD2' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -27.11 -38.57 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 1 O-C-N 129.14 4.025 . . . . 25.48 113.559 179.255 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -71.03 -52.05 21.83 Favored 'General case' 0 C--N 1.296 -1.748 1 C-N-CA 133.723 4.809 . . . . 28.71 110.764 -179.737 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.716 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -54.61 -55.91 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 127.551 3.548 . . . . 28.85 110.288 176.093 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 54.3 tpp -58.91 -20.89 55.96 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 108.952 -3.749 . . . . 17.41 116.951 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . 0.525 ' O ' ' OG1' ' A' ' 69' ' ' THR . 32.1 t -83.05 -47.19 11.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 126.409 3.004 . . . . 17.08 110.457 -176.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.254 1.6 tp10 -51.77 -49.03 63.44 Favored 'General case' 0 N--CA 1.502 2.148 1 CA-C-N 108.109 -4.132 . . . . 51.15 105.918 176.097 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -56.04 -51.27 68.4 Favored 'General case' 0 C--O 1.277 2.509 1 CA-C-O 110.259 -4.686 . . . . 28.39 112.922 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.8 -10.18 59.39 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 127.902 3.251 . . . . 17.4 114.271 -179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 65' ' ' SER . 24.1 m -63.0 -43.42 98.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 123.956 1.836 . . . . 17.06 111.96 177.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . 0.266 9.0 t-20 176.55 94.5 0.11 Allowed Pre-proline 0 C--O 1.262 1.747 0 C-N-CA 128.539 2.736 . . . . 28.49 108.301 -176.685 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' A' ' 75' ' ' MET . 37.0 Cg_endo -62.17 -40.27 42.85 Favored 'Trans proline' 0 C--O 1.257 1.462 0 O-C-N 128.447 3.867 . . . . 19.08 117.021 -177.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.678 0 O-C-N 126.3 2.25 . . . . 18.13 113.952 -179.413 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -85.84 -41.0 15.39 Favored 'General case' 0 C--N 1.282 -2.344 0 O-C-N 127.297 2.873 . . . . 27.77 103.804 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.84 -53.14 55.36 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 112.887 -1.96 . . . . 25.2 110.486 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' MET . . . . . 0.58 ' N ' ' O ' ' A' ' 71' ' ' PRO . 4.6 ptp -135.75 95.52 13.97 Favored Pre-proline 0 N--CA 1.508 2.452 0 N-CA-C 104.71 -2.33 . . . . 31.72 104.71 -179.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.91 122.54 9.17 Favored 'Trans proline' 0 C--O 1.255 1.326 0 N-CA-C 107.12 -1.915 . . . . 26.56 107.12 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.66 -7.73 22.17 Favored Glycine 0 C--O 1.27 2.353 0 CA-C-N 111.907 -2.406 . . . . 27.69 119.027 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -63.97 140.05 58.83 Favored 'General case' 0 C--O 1.275 2.438 2 C-N-CA 134.765 5.226 . . . . 24.46 109.33 178.726 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.343 2.8 pttm -93.96 44.21 1.12 Allowed 'General case' 0 N--CA 1.506 2.352 1 C-N-CA 111.149 -4.22 . . . . 26.52 106.258 -178.752 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . 0.511 ' CG ' ' ND ' ' A' ' 104' ' ' HEM 0.463 2.1 ttp -87.27 114.61 24.03 Favored 'General case' 0 C--N 1.4 2.765 1 C-N-CA 111.591 -4.044 . . . . 14.24 103.927 178.635 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.83 60.01 5.54 Favored 'General case' 0 C--O 1.274 2.387 1 O-C-N 133.471 6.732 . . . . 21.35 108.916 177.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -139.29 118.27 12.52 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 125.125 1.516 . . . . 26.02 112.347 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.0 -34.7 82.44 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 127.95 3.282 . . . . 24.67 110.761 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.8 172.27 13.49 Favored Glycine 0 N--CA 1.494 2.553 0 CA-C-N 119.4 1.6 . . . . 23.85 116.409 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 mt -107.74 103.47 12.76 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 128.402 3.953 . . . . 20.1 101.753 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -72.45 -33.35 66.99 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 106.274 -4.966 . . . . 36.44 108.469 -176.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 158' ' ' HOH . 0.0 OUTLIER -89.31 118.62 29.12 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 121.01 3.707 . . . . 29.51 121.01 -176.2 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -44.92 -45.33 10.35 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 111.313 -2.676 . . . . 24.34 113.644 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -63.55 -54.06 41.97 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 126.82 2.048 . . . . 25.28 116.153 -178.525 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 94' ' ' LEU . 15.7 m-20 -51.42 -50.4 59.77 Favored 'General case' 0 N--CA 1.532 3.629 0 CA-C-O 125.136 2.398 . . . . 24.9 107.63 -179.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -55.69 -39.88 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 110.144 -3.207 . . . . 8.65 109.687 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.325 66.9 m-20 -68.0 -44.46 76.54 Favored 'General case' 1 C--N 1.436 4.351 0 C-N-CA 111.89 -3.924 . . . . 13.74 105.973 -177.064 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' OD2' ' CD ' ' A' ' 5' ' ' LYS 0.342 65.7 m-20 -49.16 -63.19 1.17 Allowed 'General case' 0 C--O 1.273 2.338 2 O-C-N 131.769 5.668 . . . . 12.74 110.065 -179.211 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 90' ' ' ASP . 4.4 tp -49.82 -52.53 31.66 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 118.93 2.937 . . . . 8.19 118.93 -177.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.49 -13.63 17.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 121.024 1.738 . . . . 7.89 109.867 -176.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -75.9 -40.36 54.5 Favored 'General case' 1 N--CA 1.544 4.238 1 N-CA-C 98.07 -4.789 . . . . 17.72 98.07 179.108 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . 0.422 ' OH ' ' NZ ' ' A' ' 11' ' ' LYS . 79.9 t80 -59.52 -64.8 0.82 Allowed 'General case' 0 N--CA 1.482 1.172 0 O-C-N 128.061 3.351 . . . . 24.05 108.51 -178.388 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.279 41.2 mt -50.95 -37.35 43.91 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 110.234 -3.167 . . . . 18.23 111.106 178.723 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' NZ ' ' CG ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.11 -24.72 62.35 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 118.607 -2.558 . . . . 22.39 110.019 -179.621 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.366 5.5 pttt -85.76 -55.07 4.15 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-O 113.652 -3.07 . . . . 28.45 111.316 178.518 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.89 79.51 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 127.083 2.739 . . . . 19.23 117.519 -178.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.8 11.9 5.44 Favored 'General case' 0 C--O 1.271 2.212 0 O-C-N 117.225 -3.422 . . . . 16.36 111.605 177.767 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.319 9.6 tp10 . . . . . 0 C--O 1.261 1.704 1 CA-C-O 107.981 -5.771 . . . . 30.89 115.566 -175.921 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . 0.511 ' ND ' ' CG ' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . 0.423 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . 0.504 ' O ' ' SD ' ' A' ' 75' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.438 -1.026 0 CA-C-O 123.958 1.837 . . . . 48.34 111.022 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . 0.253 1.8 mt-10 -127.66 14.09 6.98 Favored 'General case' 0 N--CA 1.484 1.248 1 CA-C-N 107.055 -4.612 . . . . 45.34 105.843 178.691 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . 0.827 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 35.7 t80 -117.64 128.38 54.87 Favored 'General case' 0 C--O 1.257 1.5 0 CA-C-N 112.203 -2.271 . . . . 49.69 112.237 176.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -116.94 122.66 44.91 Favored 'General case' 0 C--O 1.252 1.231 0 O-C-N 125.435 1.71 . . . . 36.54 108.343 175.964 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . 0.436 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . -47.51 163.94 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.952 3.739 . . . . 24.56 108.42 176.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.585 ' O ' HG21 ' A' ' 96' ' ' THR . . . -154.88 -160.61 9.99 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 109.651 -3.432 . . . . 23.28 107.547 -175.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.655 ' HA ' ' O4 ' ' A' ' 117' ' ' SO4 . 44.2 t -79.33 114.99 18.7 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 128.707 3.239 . . . . 18.65 112.099 -175.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB1' ' NZ ' ' A' ' 100' ' ' LYS . . . -64.6 -36.88 85.67 Favored 'General case' 0 C--O 1.202 -1.435 1 O-C-N 129.241 4.088 . . . . 18.06 109.969 177.098 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -76.49 -22.0 55.07 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 117.297 -1.335 . . . . 38.82 107.636 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HG2' ' HB3' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -77.24 -43.39 33.69 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 127.865 3.228 . . . . 21.75 104.57 179.366 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . 0.467 ' HA3' ' HB2' ' A' ' 97' ' ' TYR . . . -57.62 -56.02 27.38 Favored Glycine 0 CA--C 1.551 2.295 0 CA-C-O 116.727 -2.152 . . . . 19.22 111.758 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.765 ' O ' ' HE2' ' A' ' 11' ' ' LYS 0.261 . . -36.84 -49.46 0.8 Allowed 'General case' 0 N--CA 1.397 -3.101 1 C-N-CA 131.969 4.108 . . . . 14.77 109.278 -179.171 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 12' ' ' THR . 3.4 p -71.81 -50.95 25.22 Favored 'General case' 0 C--O 1.274 2.368 1 O-C-N 131.586 5.554 . . . . 12.86 114.652 -179.759 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -47.35 -56.24 7.26 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 104.811 -2.292 . . . . 18.81 104.811 179.104 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.843 ' HB2' HD11 ' A' ' 94' ' ' LEU 0.312 4.0 t80 -52.87 -41.84 64.69 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 113.495 -3.145 . . . . 12.03 112.079 -176.488 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.765 ' HE2' ' O ' ' A' ' 7' ' ' ALA . 29.4 mmtt -60.39 -66.87 0.46 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 128.017 3.323 . . . . 30.11 106.185 178.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' THR . 1.3 p -55.63 -15.61 3.17 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 126.225 1.81 . . . . 25.12 114.172 177.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.469 HH11 ' CD2' ' A' ' 85' ' ' LEU 0.307 4.1 mmm180 -125.48 -18.83 5.17 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 117.932 2.567 . . . . 38.62 117.932 -179.039 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' ' C4B' ' A' ' 104' ' ' HEM . 0.0 OUTLIER -140.93 -0.25 1.51 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 123.012 2.642 . . . . 11.28 113.806 -177.063 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.293 3.4 tp -68.6 -35.44 77.35 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 127.664 3.602 . . . . 7.83 105.337 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.58 -45.91 0.8 Allowed 'General case' 0 C--O 1.281 2.756 1 CA-C-N 103.497 -6.229 . . . . 26.4 105.98 178.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.2 m -129.11 10.97 5.92 Favored 'General case' 0 C--O 1.26 1.621 0 C-N-CA 114.259 -2.976 . . . . 11.17 110.608 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.294 77.8 m-70 -155.74 153.52 30.04 Favored 'General case' 1 N--CA 1.543 4.19 0 O-C-N 127.254 2.846 . . . . 10.53 108.592 -175.077 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 32.5 p -119.58 146.76 45.22 Favored 'General case' 0 N--CA 1.402 -2.866 2 C-N-CA 136.895 6.078 . . . . 7.53 105.829 175.886 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.593 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 28.0 m -106.64 -32.02 2.61 Favored 'Isoleucine or valine' 0 C--O 1.3 3.731 0 N-CA-C 121.358 3.836 . . . . 6.44 121.358 -178.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.705 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.1 pm0 -72.97 153.55 40.9 Favored 'General case' 0 C--N 1.267 -3.019 0 O-C-N 119.105 -2.247 . . . . 28.5 112.276 -175.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 33' ' ' HIS 0.258 0.0 OUTLIER -65.81 126.85 29.78 Favored 'General case' 0 N--CA 1.479 1.014 1 O-C-N 129.361 4.163 . . . . 23.2 106.85 177.836 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 12.2 67.23 Favored Glycine 0 C--N 1.36 1.897 0 C-N-CA 115.881 -3.057 . . . . 21.29 111.667 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.58 157.68 21.89 Favored Glycine 2 N--CA 1.522 4.422 1 N-CA-C 99.259 -5.536 . . . . 19.52 99.259 175.742 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -91.01 161.61 3.91 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 O-C-N 125.067 2.088 . . . . 14.41 116.958 -176.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -77.03 153.63 34.25 Favored 'General case' 0 N--CA 1.517 2.884 1 C-N-CA 111.583 -4.047 . . . . 16.56 103.03 173.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -130.64 -141.49 0.23 Allowed 'General case' 1 C--O 1.31 4.27 0 N-CA-C 102.574 -3.121 . . . . 13.25 102.574 179.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 17' ' ' CYS 0.359 2.9 t -51.73 -55.75 8.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.139 0 CA-C-O 126.489 3.043 . . . . 6.24 111.484 178.583 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.86 166.71 20.44 Favored Glycine 1 C--N 1.423 5.401 0 N-CA-C 105.669 -2.972 . . . . 5.2 105.669 175.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 6.1 Cg_exo -59.63 165.34 9.87 Favored 'Trans proline' 0 C--O 1.27 2.117 0 C-N-CA 123.204 2.603 . . . . 5.59 115.565 -179.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.398 3.7 t-20 -79.24 144.55 34.24 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 128.001 3.762 . . . . 7.29 106.857 174.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 35' ' ' ILE 0.367 47.6 mt -90.23 -16.53 29.22 Favored 'General case' 1 C--O 1.318 4.664 0 C-N-CA 112.756 -3.578 . . . . 11.06 119.195 -176.303 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 22' ' ' LYS . 1.6 t60 -46.39 132.41 10.34 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-O 123.834 1.778 . . . . 16.74 113.441 -179.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.6 38.33 94.83 Favored Glycine 0 C--O 1.263 1.954 1 C-N-CA 131.696 4.474 . . . . 15.64 110.761 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.545 HG22 ' OG1' ' A' ' 102' ' ' THR . 1.5 tp -61.59 -52.12 64.79 Favored 'Isoleucine or valine' 0 C--O 1.285 2.935 1 CA-C-O 128.782 4.134 . . . . 14.33 117.214 179.507 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' ARG 0.565 1.3 m-85 -67.63 137.92 55.99 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 116.702 -3.749 . . . . 16.71 113.617 -173.777 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 87.62 -13.46 60.55 Favored Glycine 0 CA--C 1.572 3.62 1 O-C-N 129.382 4.176 . . . . 23.42 104.665 -179.945 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 36' ' ' PHE . 2.4 ttp180 -90.15 142.09 28.06 Favored 'General case' 0 CA--C 1.551 1.0 1 O-C-N 130.592 4.348 . . . . 26.49 108.85 177.138 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -84.83 146.49 27.31 Favored 'General case' 0 CA--C 1.557 1.218 0 O-C-N 127.827 3.204 . . . . 29.84 108.154 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . 0.546 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 92.2 p -53.19 136.52 36.11 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-O 127.924 3.726 . . . . 23.2 114.34 -177.28 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . 0.669 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 55.42 53.13 43.13 Favored Glycine 0 C--O 1.28 2.984 0 CA-C-N 112.079 -2.328 . . . . 21.32 117.973 -178.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -124.98 6.04 7.98 Favored 'General case' 0 C--O 1.28 2.669 0 O-C-N 118.358 -2.848 . . . . 31.22 118.65 -176.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.51 132.87 43.37 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 104.118 -2.549 . . . . 14.74 104.118 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.26 1.2 pt-20 -78.1 136.63 37.92 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 125.509 1.755 . . . . 24.05 107.941 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.59 8.23 59.74 Favored Glycine 0 C--O 1.281 3.069 1 O-C-N 130.721 5.013 . . . . 12.46 111.216 177.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -126.77 138.87 53.43 Favored 'General case' 0 C--O 1.27 2.159 0 O-C-N 128.561 3.154 . . . . 10.34 111.501 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.6 t -100.52 103.13 14.46 Favored 'General case' 0 C--N 1.32 -0.701 1 CA-C-O 129.943 4.687 . . . . 22.43 109.093 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 71.0 m-85 -99.4 138.85 35.91 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 109.274 -3.603 . . . . 27.24 107.314 -176.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . 0.28 5.0 p -38.42 158.44 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.159 1 O-C-N 130.447 4.842 . . . . 19.14 104.68 173.416 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.314 8.1 t0 -76.86 -25.64 53.37 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 108.735 -3.848 . . . . 38.79 105.371 -178.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 301' ' ' HOH . . . -60.17 -57.46 12.7 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 128.195 3.434 . . . . 28.13 110.719 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . 0.554 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 24.1 t-20 -53.9 -63.1 1.26 Allowed 'General case' 0 C--O 1.247 0.966 1 O-C-N 129.974 4.546 . . . . 22.67 108.306 179.329 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 48' ' ' TYR . 14.5 mt -39.61 -43.43 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.282 2.784 0 N-CA-C 117.521 2.415 . . . . 24.77 117.521 -178.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -90.56 0.42 57.35 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.893 1.371 . . . . 24.65 114.181 -175.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.802 ' HG3' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -74.66 -23.92 58.73 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.259 -1.015 . . . . 33.68 108.259 178.854 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.47 59.0 t30 37.37 30.05 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.18 1 C-N-CA 135.811 5.644 . . . . 36.58 112.232 -177.637 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.802 HG23 ' HG3' ' A' ' 55' ' ' LYS . 2.2 t -48.29 139.76 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 111.517 -2.583 . . . . 39.42 106.6 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mt -106.1 105.31 15.29 Favored 'General case' 0 C--N 1.297 -1.689 1 O-C-N 130.312 4.758 . . . . 40.63 104.498 176.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 37' ' ' GLY . 23.9 m95 -72.49 103.79 3.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 124.974 2.321 . . . . 35.02 115.16 -177.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.63 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 8.4 p30 -137.59 136.87 37.96 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 113.526 -3.131 . . . . 28.81 106.997 179.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.827 ' OE1' ' HB3' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -27.11 -38.57 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 1 O-C-N 129.14 4.025 . . . . 25.48 113.559 179.255 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.535 ' HB2' ' OD1' ' A' ' 60' ' ' ASP . 28.7 m-20 -71.03 -52.05 21.83 Favored 'General case' 0 C--N 1.296 -1.748 1 C-N-CA 133.723 4.809 . . . . 28.71 110.764 -179.737 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.63 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -54.61 -55.91 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 127.551 3.548 . . . . 28.85 110.288 176.093 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 54.3 tpp -58.91 -20.89 55.96 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 108.952 -3.749 . . . . 17.41 116.951 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . 0.519 ' O ' ' OG1' ' A' ' 69' ' ' THR . 32.1 t -83.05 -47.19 11.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 126.409 3.004 . . . . 17.08 110.457 -176.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' O ' ' HB ' ' A' ' 69' ' ' THR 0.254 1.6 tp10 -51.77 -49.03 63.44 Favored 'General case' 0 N--CA 1.502 2.148 1 CA-C-N 108.109 -4.132 . . . . 51.15 105.918 176.097 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 42.3 t80 -56.04 -51.27 68.4 Favored 'General case' 0 C--O 1.277 2.509 1 CA-C-O 110.259 -4.686 . . . . 28.39 112.922 179.587 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' MET . 6.3 mt -71.8 -10.18 59.39 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 127.902 3.251 . . . . 17.4 114.271 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . 0.532 ' HB ' ' O ' ' A' ' 66' ' ' GLU . 24.1 m -63.0 -43.42 98.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 123.956 1.836 . . . . 17.06 111.96 177.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 71' ' ' PRO 0.266 9.0 t-20 176.55 94.5 0.11 Allowed Pre-proline 0 C--O 1.262 1.747 0 C-N-CA 128.539 2.736 . . . . 28.49 108.301 -176.685 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 37.0 Cg_endo -62.17 -40.27 42.85 Favored 'Trans proline' 0 C--O 1.257 1.462 0 O-C-N 128.447 3.867 . . . . 19.08 117.021 -177.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . 0.534 ' HE2' ' O ' ' A' ' 80' ' ' MET . . . . . . . . 0 N--CA 1.473 0.678 0 O-C-N 126.3 2.25 . . . . 18.13 113.952 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -85.84 -41.0 15.39 Favored 'General case' 0 C--N 1.282 -2.344 0 O-C-N 127.297 2.873 . . . . 27.77 103.804 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.84 -53.14 55.36 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 112.887 -1.96 . . . . 25.2 110.486 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' MET . . . . . 0.681 ' SD ' ' HB ' ' A' ' 78' ' ' THR . 4.6 ptp -135.75 95.52 13.97 Favored Pre-proline 0 N--CA 1.508 2.452 0 N-CA-C 104.71 -2.33 . . . . 31.72 104.71 -179.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.91 122.54 9.17 Favored 'Trans proline' 0 C--O 1.255 1.326 0 N-CA-C 107.12 -1.915 . . . . 26.56 107.12 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.66 -7.73 22.17 Favored Glycine 0 C--O 1.27 2.353 0 CA-C-N 111.907 -2.406 . . . . 27.69 119.027 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.681 ' HB ' ' SD ' ' A' ' 75' ' ' MET . 5.8 t -63.97 140.05 58.83 Favored 'General case' 0 C--O 1.275 2.438 2 C-N-CA 134.765 5.226 . . . . 24.46 109.33 178.726 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HG2' HMD1 ' A' ' 104' ' ' HEM 0.343 2.8 pttm -93.96 44.21 1.12 Allowed 'General case' 0 N--CA 1.506 2.352 1 C-N-CA 111.149 -4.22 . . . . 26.52 106.258 -178.752 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . 0.956 ' HG3' ' C1D' ' A' ' 104' ' ' HEM 0.463 2.1 ttp -87.27 114.61 24.03 Favored 'General case' 0 C--N 1.4 2.765 1 C-N-CA 111.591 -4.044 . . . . 14.24 103.927 178.635 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . 0.528 ' HA ' HM22 ' A' ' 72' ' ' M3L . . . -83.83 60.01 5.54 Favored 'General case' 0 C--O 1.274 2.387 1 O-C-N 133.471 6.732 . . . . 21.35 108.916 177.508 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 40.1 t80 -139.29 118.27 12.52 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 125.125 1.516 . . . . 26.02 112.347 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' A' ' 172' ' ' HOH . . . -68.0 -34.7 82.44 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 127.95 3.282 . . . . 24.67 110.761 178.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 124.8 172.27 13.49 Favored Glycine 0 N--CA 1.494 2.553 0 CA-C-N 119.4 1.6 . . . . 23.85 116.409 178.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD2' HH11 ' A' ' 13' ' ' ARG . 69.0 mt -107.74 103.47 12.76 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 128.402 3.953 . . . . 20.1 101.753 177.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -72.45 -33.35 66.99 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 106.274 -4.966 . . . . 36.44 108.469 -176.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . 0.884 ' HB2' ' O ' ' A' ' 158' ' ' HOH . 0.0 OUTLIER -89.31 118.62 29.12 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 121.01 3.707 . . . . 29.51 121.01 -176.2 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -44.92 -45.33 10.35 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 111.313 -2.676 . . . . 24.34 113.644 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HD2' ' NZ ' ' A' ' 5' ' ' LYS 0.253 0.0 OUTLIER -63.55 -54.06 41.97 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 126.82 2.048 . . . . 25.28 116.153 -178.525 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . 0.874 ' HB3' HD21 ' A' ' 9' ' ' LEU . 15.7 m-20 -51.42 -50.4 59.77 Favored 'General case' 0 N--CA 1.532 3.629 0 CA-C-O 125.136 2.398 . . . . 24.9 107.63 -179.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -55.69 -39.88 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 110.144 -3.207 . . . . 8.65 109.687 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . 0.567 ' HB3' ' O ' ' A' ' -2' ' ' LYS 0.325 66.9 m-20 -68.0 -44.46 76.54 Favored 'General case' 1 C--N 1.436 4.351 0 C-N-CA 111.89 -3.924 . . . . 13.74 105.973 -177.064 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.743 ' HB3' ' HG2' ' A' ' 5' ' ' LYS 0.342 65.7 m-20 -49.16 -63.19 1.17 Allowed 'General case' 0 C--O 1.273 2.338 2 O-C-N 131.769 5.668 . . . . 12.74 110.065 -179.211 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.843 HD11 ' HB2' ' A' ' 10' ' ' PHE . 4.4 tp -49.82 -52.53 31.66 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 118.93 2.937 . . . . 8.19 118.93 -177.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' A' ' 99' ' ' LYS . 53.5 mt -69.49 -13.63 17.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 121.024 1.738 . . . . 7.89 109.867 -176.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . 0.585 HG21 ' O ' ' A' ' 1' ' ' GLY . 1.9 m -75.9 -40.36 54.5 Favored 'General case' 1 N--CA 1.544 4.238 1 N-CA-C 98.07 -4.789 . . . . 17.72 98.07 179.108 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 79.9 t80 -59.52 -64.8 0.82 Allowed 'General case' 0 N--CA 1.482 1.172 0 O-C-N 128.061 3.351 . . . . 24.05 108.51 -178.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 10' ' ' PHE 0.279 41.2 mt -50.95 -37.35 43.91 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 110.234 -3.167 . . . . 18.23 111.106 178.723 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.68 ' HE3' ' HB3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.11 -24.72 62.35 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 118.607 -2.558 . . . . 22.39 110.019 -179.621 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . 0.527 ' NZ ' ' HB1' ' A' ' 3' ' ' ALA 0.366 5.5 pttt -85.76 -55.07 4.15 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-O 113.652 -3.07 . . . . 28.45 111.316 178.518 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.89 79.51 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 127.083 2.739 . . . . 19.23 117.519 -178.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . 0.545 ' OG1' HG22 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -82.8 11.9 5.44 Favored 'General case' 0 C--O 1.271 2.212 0 O-C-N 117.225 -3.422 . . . . 16.36 111.605 177.767 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.319 9.6 tp10 . . . . . 0 C--O 1.261 1.704 1 CA-C-O 107.981 -5.771 . . . . 30.89 115.566 -175.921 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . 0.655 ' O4 ' ' HA ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . 0.956 ' C1D' ' HG3' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . 0.884 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . 0.504 ' O ' ' SD ' ' A' ' 75' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . 0.652 ' O ' ' HA2' ' A' ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.438 -1.026 0 CA-C-O 123.958 1.837 . . . . 48.340000000000003 111.022 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . 0.253 1.8 mt-10 -127.66 14.09 6.98 Favored 'General case' 0 N--CA 1.484 1.248 1 CA-C-N 107.055 -4.612 . . . . 45.340000000000003 105.843 178.691 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.827 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 35.7 t80 -117.64 128.38 54.87 Favored 'General case' 0 C--O 1.257 1.5 0 CA-C-N 112.203 -2.271 . . . . 49.689999999999998 112.237 176.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -116.94 122.66 44.91 Favored 'General case' 0 C--O 1.252 1.231 0 O-C-N 125.435 1.71 . . . . 36.539999999999999 108.343 175.964 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.436 ' HA ' ' CZ ' ' A' ' -3' ' ' PHE . . . -47.51 163.94 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.952 3.739 . . . . 24.559999999999999 108.42 176.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.585 ' O ' HG21 ' A' ' 96' ' ' THR . . . -154.88 -160.61 9.99 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 109.651 -3.432 . . . . 23.280000000000001 107.547 -175.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.655 ' HA ' ' O4 ' ' A' ' 117' ' ' SO4 . 44.2 t -79.33 114.99 18.7 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 128.707 3.239 . . . . 18.649999999999999 112.099 -175.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB1' ' NZ ' ' A' ' 100' ' ' LYS . . . -64.6 -36.88 85.67 Favored 'General case' 0 C--O 1.202 -1.435 1 O-C-N 129.241 4.088 . . . . 18.059999999999999 109.969 177.098 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -76.49 -22.0 55.07 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 117.297 -1.335 . . . . 38.82 107.636 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.743 ' HG2' ' HB3' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -77.24 -43.39 33.69 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 127.865 3.228 . . . . 21.75 104.57 179.366 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.467 ' HA3' ' HB2' ' A' ' 97' ' ' TYR . . . -57.62 -56.02 27.38 Favored Glycine 0 CA--C 1.551 2.295 0 CA-C-O 116.727 -2.152 . . . . 19.219999999999999 111.758 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.765 ' O ' ' HE2' ' A' ' 11' ' ' LYS 0.261 . . -36.84 -49.46 0.8 Allowed 'General case' 0 N--CA 1.397 -3.101 1 C-N-CA 131.969 4.108 . . . . 14.77 109.278 -179.171 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 12' ' ' THR . 3.4 p -71.81 -50.95 25.22 Favored 'General case' 0 C--O 1.274 2.368 1 O-C-N 131.586 5.554 . . . . 12.859999999999999 114.652 -179.759 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -47.35 -56.24 7.26 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 104.811 -2.292 . . . . 18.809999999999999 104.811 179.104 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.843 ' HB2' HD11 ' A' ' 94' ' ' LEU 0.312 4.0 t80 -52.87 -41.84 64.69 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 113.495 -3.145 . . . . 12.029999999999999 112.079 -176.488 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.765 ' HE2' ' O ' ' A' ' 7' ' ' ALA . 29.4 mmtt -60.39 -66.87 0.46 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 128.017 3.323 . . . . 30.109999999999999 106.185 178.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' THR . 1.3 p -55.63 -15.61 3.17 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 126.225 1.81 . . . . 25.120000000000001 114.172 177.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.469 HH11 ' CD2' ' A' ' 85' ' ' LEU 0.307 4.1 mmm180 -125.48 -18.83 5.17 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 117.932 2.567 . . . . 38.619999999999997 117.932 -179.039 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' ' C4B' ' A' ' 104' ' ' HEM . 0.0 OUTLIER -140.93 -0.25 1.51 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 123.012 2.642 . . . . 11.279999999999999 113.806 -177.063 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.293 3.4 tp -68.6 -35.44 77.35 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 127.664 3.602 . . . . 7.8300000000000001 105.337 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -37.58 -45.91 0.8 Allowed 'General case' 0 C--O 1.281 2.756 1 CA-C-N 103.497 -6.229 . . . . 26.399999999999999 105.98 178.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.2 m -129.11 10.97 5.92 Favored 'General case' 0 C--O 1.26 1.621 0 C-N-CA 114.259 -2.976 . . . . 11.17 110.608 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.294 77.8 m-70 -155.74 153.52 30.04 Favored 'General case' 1 N--CA 1.543 4.19 0 O-C-N 127.254 2.846 . . . . 10.529999999999999 108.592 -175.077 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 32.5 p -119.58 146.76 45.22 Favored 'General case' 0 N--CA 1.402 -2.866 2 C-N-CA 136.895 6.078 . . . . 7.5300000000000002 105.829 175.886 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.593 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 28.0 m -106.64 -32.02 2.61 Favored 'Isoleucine or valine' 0 C--O 1.3 3.731 0 N-CA-C 121.358 3.836 . . . . 6.4400000000000004 121.358 -178.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.705 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 pm0 -72.97 153.55 40.9 Favored 'General case' 0 C--N 1.267 -3.019 0 O-C-N 119.105 -2.247 . . . . 28.5 112.276 -175.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 33' ' ' HIS 0.258 0.0 OUTLIER -65.81 126.85 29.78 Favored 'General case' 0 N--CA 1.479 1.014 1 O-C-N 129.361 4.163 . . . . 23.199999999999999 106.85 177.836 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 12.2 67.23 Favored Glycine 0 C--N 1.36 1.897 0 C-N-CA 115.881 -3.057 . . . . 21.289999999999999 111.667 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.58 157.68 21.89 Favored Glycine 2 N--CA 1.522 4.422 1 N-CA-C 99.259 -5.536 . . . . 19.52 99.259 175.742 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -91.01 161.61 3.91 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 O-C-N 125.067 2.088 . . . . 14.41 116.958 -176.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -77.03 153.63 34.25 Favored 'General case' 0 N--CA 1.517 2.884 1 C-N-CA 111.583 -4.047 . . . . 16.559999999999999 103.03 173.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -130.64 -141.49 0.23 Allowed 'General case' 1 C--O 1.31 4.27 0 N-CA-C 102.574 -3.121 . . . . 13.25 102.574 179.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 17' ' ' CYS 0.359 2.9 t -51.73 -55.75 8.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.139 0 CA-C-O 126.489 3.043 . . . . 6.2400000000000002 111.484 178.583 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.86 166.71 20.44 Favored Glycine 1 C--N 1.423 5.401 0 N-CA-C 105.669 -2.972 . . . . 5.2000000000000002 105.669 175.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 6.1 Cg_exo -59.63 165.34 9.87 Favored 'Trans proline' 0 C--O 1.27 2.117 0 C-N-CA 123.204 2.603 . . . . 5.5899999999999999 115.565 -179.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.398 3.7 t-20 -79.24 144.55 34.24 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 128.001 3.762 . . . . 7.29 106.857 174.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 35' ' ' ILE 0.367 47.6 mt -90.23 -16.53 29.22 Favored 'General case' 1 C--O 1.318 4.664 0 C-N-CA 112.756 -3.578 . . . . 11.06 119.195 -176.303 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 22' ' ' LYS . 1.6 t60 -46.39 132.41 10.34 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-O 123.834 1.778 . . . . 16.739999999999998 113.441 -179.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.6 38.33 94.83 Favored Glycine 0 C--O 1.263 1.954 1 C-N-CA 131.696 4.474 . . . . 15.640000000000001 110.761 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.545 HG22 ' OG1' ' A' ' 102' ' ' THR . 1.5 tp -61.59 -52.12 64.79 Favored 'Isoleucine or valine' 0 C--O 1.285 2.935 1 CA-C-O 128.782 4.134 . . . . 14.33 117.214 179.507 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' ARG 0.565 1.3 m-85 -67.63 137.92 55.99 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 116.702 -3.749 . . . . 16.710000000000001 113.617 -173.777 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 59' ' ' TRP . . . 87.62 -13.46 60.55 Favored Glycine 0 CA--C 1.572 3.62 1 O-C-N 129.382 4.176 . . . . 23.420000000000002 104.665 -179.945 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 36' ' ' PHE . 2.4 ttp180 -90.15 142.09 28.06 Favored 'General case' 0 CA--C 1.551 1.0 1 O-C-N 130.592 4.348 . . . . 26.489999999999998 108.85 177.138 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -84.83 146.49 27.31 Favored 'General case' 0 CA--C 1.557 1.218 0 O-C-N 127.827 3.204 . . . . 29.84 108.154 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . 0.546 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 92.2 p -53.19 136.52 36.11 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-O 127.924 3.726 . . . . 23.199999999999999 114.34 -177.28 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.669 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 55.42 53.13 43.13 Favored Glycine 0 C--O 1.28 2.984 0 CA-C-N 112.079 -2.328 . . . . 21.32 117.973 -178.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.98 6.04 7.98 Favored 'General case' 0 C--O 1.28 2.669 0 O-C-N 118.358 -2.848 . . . . 31.219999999999999 118.65 -176.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.51 132.87 43.37 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 104.118 -2.549 . . . . 14.74 104.118 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.26 1.2 pt-20 -78.1 136.63 37.92 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 125.509 1.755 . . . . 24.050000000000001 107.941 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.59 8.23 59.74 Favored Glycine 0 C--O 1.281 3.069 1 O-C-N 130.721 5.013 . . . . 12.460000000000001 111.216 177.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -126.77 138.87 53.43 Favored 'General case' 0 C--O 1.27 2.159 0 O-C-N 128.561 3.154 . . . . 10.34 111.501 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.6 t -100.52 103.13 14.46 Favored 'General case' 0 C--N 1.32 -0.701 1 CA-C-O 129.943 4.687 . . . . 22.43 109.093 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 71.0 m-85 -99.4 138.85 35.91 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 109.274 -3.603 . . . . 27.239999999999998 107.314 -176.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . 0.28 5.0 p -38.42 158.44 0.01 OUTLIER 'General case' 0 N--CA 1.416 -2.159 1 O-C-N 130.447 4.842 . . . . 19.140000000000001 104.68 173.416 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.314 8.1 t0 -76.86 -25.64 53.37 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 108.735 -3.848 . . . . 38.789999999999999 105.371 -178.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 301' ' ' HOH . . . -60.17 -57.46 12.7 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 128.195 3.434 . . . . 28.129999999999999 110.719 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.554 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 24.1 t-20 -53.9 -63.1 1.26 Allowed 'General case' 0 C--O 1.247 0.966 1 O-C-N 129.974 4.546 . . . . 22.670000000000002 108.306 179.329 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 48' ' ' TYR . 14.5 mt -39.61 -43.43 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.282 2.784 0 N-CA-C 117.521 2.415 . . . . 24.77 117.521 -178.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -90.56 0.42 57.35 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.893 1.371 . . . . 24.649999999999999 114.181 -175.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.802 ' HG3' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -74.66 -23.92 58.73 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.259 -1.015 . . . . 33.68 108.259 178.854 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.47 1.7 t-20 37.37 30.05 0.02 OUTLIER 'General case' 0 C--N 1.286 -2.18 1 C-N-CA 135.811 5.644 . . . . 36.579999999999998 112.232 -177.637 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.802 HG23 ' HG3' ' A' ' 55' ' ' LYS . 2.2 t -48.29 139.76 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 111.517 -2.583 . . . . 39.420000000000002 106.6 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mt -106.1 105.31 15.29 Favored 'General case' 0 C--N 1.297 -1.689 1 O-C-N 130.312 4.758 . . . . 40.630000000000003 104.498 176.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 37' ' ' GLY . 23.9 m95 -72.49 103.79 3.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 124.974 2.321 . . . . 35.020000000000003 115.16 -177.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.63 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 8.4 p30 -137.59 136.87 37.96 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 113.526 -3.131 . . . . 28.809999999999999 106.997 179.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.827 ' OE1' ' HB3' ' A' ' -3' ' ' PHE . 0.5 OUTLIER -27.11 -38.57 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 1 O-C-N 129.14 4.025 . . . . 25.48 113.559 179.255 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.535 ' HB2' ' OD1' ' A' ' 60' ' ' ASP . 28.7 m-20 -71.03 -52.05 21.83 Favored 'General case' 0 C--N 1.296 -1.748 1 C-N-CA 133.723 4.809 . . . . 28.710000000000001 110.764 -179.737 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.63 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -54.61 -55.91 24.53 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 127.551 3.548 . . . . 28.850000000000001 110.288 176.093 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 54.3 tpp -58.91 -20.89 55.96 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 108.952 -3.749 . . . . 17.41 116.951 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . 0.519 ' O ' ' OG1' ' A' ' 69' ' ' THR . 32.1 t -83.05 -47.19 11.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 126.409 3.004 . . . . 17.079999999999998 110.457 -176.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' O ' ' HB ' ' A' ' 69' ' ' THR 0.254 1.6 tp10 -51.77 -49.03 63.44 Favored 'General case' 0 N--CA 1.502 2.148 1 CA-C-N 108.109 -4.132 . . . . 51.149999999999999 105.918 176.097 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 71' ' ' PRO . 42.3 t80 -56.04 -51.27 68.4 Favored 'General case' 0 C--O 1.277 2.509 1 CA-C-O 110.259 -4.686 . . . . 28.390000000000001 112.922 179.587 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' MET . 6.3 mt -71.8 -10.18 59.39 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 127.902 3.251 . . . . 17.399999999999999 114.271 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . 0.532 ' HB ' ' O ' ' A' ' 66' ' ' GLU . 24.1 m -63.0 -43.42 98.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 123.956 1.836 . . . . 17.059999999999999 111.96 177.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 71' ' ' PRO 0.266 9.0 t-20 176.55 94.5 0.11 Allowed Pre-proline 0 C--O 1.262 1.747 0 C-N-CA 128.539 2.736 . . . . 28.489999999999998 108.301 -176.685 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 37.0 Cg_endo -62.17 -40.27 42.85 Favored 'Trans proline' 0 C--O 1.257 1.462 0 O-C-N 128.447 3.867 . . . . 19.079999999999998 117.021 -177.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.534 ' HE2' ' O ' ' A' ' 80' ' ' MET . . . . . . . . 0 N--CA 1.473 0.678 0 O-C-N 126.3 2.25 . . . . 18.129999999999999 113.952 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -85.84 -41.0 15.39 Favored 'General case' 0 C--N 1.282 -2.344 0 O-C-N 127.297 2.873 . . . . 27.77 103.804 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.84 -53.14 55.36 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 112.887 -1.96 . . . . 25.199999999999999 110.486 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' MET . . . . . 0.681 ' SD ' ' HB ' ' A' ' 78' ' ' THR . 4.6 ptp -135.75 95.52 13.97 Favored Pre-proline 0 N--CA 1.508 2.452 0 N-CA-C 104.71 -2.33 . . . . 31.719999999999999 104.71 -179.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.91 122.54 9.17 Favored 'Trans proline' 0 C--O 1.255 1.326 0 N-CA-C 107.12 -1.915 . . . . 26.559999999999999 107.12 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.66 -7.73 22.17 Favored Glycine 0 C--O 1.27 2.353 0 CA-C-N 111.907 -2.406 . . . . 27.690000000000001 119.027 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.681 ' HB ' ' SD ' ' A' ' 75' ' ' MET . 5.8 t -63.97 140.05 58.83 Favored 'General case' 0 C--O 1.275 2.438 2 C-N-CA 134.765 5.226 . . . . 24.460000000000001 109.33 178.726 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HG2' HMD1 ' A' ' 104' ' ' HEM 0.343 2.8 pttm -93.96 44.21 1.12 Allowed 'General case' 0 N--CA 1.506 2.352 1 C-N-CA 111.149 -4.22 . . . . 26.52 106.258 -178.752 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . 0.956 ' HG3' ' C1D' ' A' ' 104' ' ' HEM 0.463 2.1 ttp -87.27 114.61 24.03 Favored 'General case' 0 C--N 1.4 2.765 1 C-N-CA 111.591 -4.044 . . . . 14.24 103.927 178.635 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.528 ' HA ' HM22 ' A' ' 72' ' ' M3L . . . -83.83 60.01 5.54 Favored 'General case' 0 C--O 1.274 2.387 1 O-C-N 133.471 6.732 . . . . 21.350000000000001 108.916 177.508 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 40.1 t80 -139.29 118.27 12.52 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 125.125 1.516 . . . . 26.02 112.347 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' A' ' 172' ' ' HOH . . . -68.0 -34.7 82.44 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 127.95 3.282 . . . . 24.670000000000002 110.761 178.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 124.8 172.27 13.49 Favored Glycine 0 N--CA 1.494 2.553 0 CA-C-N 119.4 1.6 . . . . 23.850000000000001 116.409 178.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD2' HH11 ' A' ' 13' ' ' ARG . 69.0 mt -107.74 103.47 12.76 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 128.402 3.953 . . . . 20.100000000000001 101.753 177.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -72.45 -33.35 66.99 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 106.274 -4.966 . . . . 36.439999999999998 108.469 -176.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.884 ' HB2' ' O ' ' A' ' 158' ' ' HOH . 0.0 OUTLIER -89.31 118.62 29.12 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 121.01 3.707 . . . . 29.510000000000002 121.01 -176.2 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -44.92 -45.33 10.35 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 111.313 -2.676 . . . . 24.34 113.644 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HD2' ' NZ ' ' A' ' 5' ' ' LYS 0.253 0.0 OUTLIER -63.55 -54.06 41.97 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 126.82 2.048 . . . . 25.280000000000001 116.153 -178.525 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.874 ' HB3' HD21 ' A' ' 9' ' ' LEU . 15.7 m-20 -51.42 -50.4 59.77 Favored 'General case' 0 N--CA 1.532 3.629 0 CA-C-O 125.136 2.398 . . . . 24.899999999999999 107.63 -179.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -55.69 -39.88 71.6 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 110.144 -3.207 . . . . 8.6500000000000004 109.687 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.567 ' HB3' ' O ' ' A' ' -2' ' ' LYS 0.325 66.9 m-20 -68.0 -44.46 76.54 Favored 'General case' 1 C--N 1.436 4.351 0 C-N-CA 111.89 -3.924 . . . . 13.74 105.973 -177.064 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.743 ' HB3' ' HG2' ' A' ' 5' ' ' LYS 0.342 65.7 m-20 -49.16 -63.19 1.17 Allowed 'General case' 0 C--O 1.273 2.338 2 O-C-N 131.769 5.668 . . . . 12.74 110.065 -179.211 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.843 HD11 ' HB2' ' A' ' 10' ' ' PHE . 4.4 tp -49.82 -52.53 31.66 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 118.93 2.937 . . . . 8.1899999999999995 118.93 -177.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' A' ' 99' ' ' LYS . 53.5 mt -69.49 -13.63 17.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 121.024 1.738 . . . . 7.8899999999999997 109.867 -176.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . 0.585 HG21 ' O ' ' A' ' 1' ' ' GLY . 1.9 m -75.9 -40.36 54.5 Favored 'General case' 1 N--CA 1.544 4.238 1 N-CA-C 98.07 -4.789 . . . . 17.719999999999999 98.07 179.108 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.648 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 79.9 t80 -59.52 -64.8 0.82 Allowed 'General case' 0 N--CA 1.482 1.172 0 O-C-N 128.061 3.351 . . . . 24.050000000000001 108.51 -178.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 10' ' ' PHE 0.279 41.2 mt -50.95 -37.35 43.91 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 110.234 -3.167 . . . . 18.23 111.106 178.723 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.68 ' HE3' ' HB3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -71.11 -24.72 62.35 Favored 'General case' 0 C--O 1.269 2.101 0 O-C-N 118.607 -2.558 . . . . 22.390000000000001 110.019 -179.621 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.527 ' NZ ' ' HB1' ' A' ' 3' ' ' ALA 0.366 5.5 pttt -85.76 -55.07 4.15 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-O 113.652 -3.07 . . . . 28.449999999999999 111.316 178.518 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.89 79.51 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 127.083 2.739 . . . . 19.23 117.519 -178.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . 0.545 ' OG1' HG22 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -82.8 11.9 5.44 Favored 'General case' 0 C--O 1.271 2.212 0 O-C-N 117.225 -3.422 . . . . 16.359999999999999 111.605 177.767 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.319 9.6 tp10 . . . . . 0 C--O 1.261 1.704 1 CA-C-O 107.981 -5.771 . . . . 30.890000000000001 115.566 -175.921 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . 0.655 ' O4 ' ' HA ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . 0.956 ' C1D' ' HG3' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . 0.884 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . 0.504 ' O ' ' SD ' ' A' ' 75' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . 0.652 ' O ' ' HA2' ' A' ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_