data_1ch5_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 1ch5 _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 ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.517 -0.296 0 N-CA-C 109.76 -0.459 . . . . 76.35 109.76 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.6 t -137.52 133.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 123.1 1.429 . . . . 48.22 110.471 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mp -90.95 142.37 27.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 113.847 -1.524 . . . . 35.54 109.005 174.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -79.2 164.13 24.44 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.062 -0.972 . . . . 23.44 109.845 172.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.13 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.246 -0.581 . . . . 37.58 109.912 -179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.8 98.49 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.299 -0.953 . . . . 29.88 111.765 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -68.51 -50.52 51.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.598 1.559 . . . . 32.89 108.263 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.06 -36.83 63.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.021 0.915 . . . . 28.89 111.662 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -65.51 -38.35 89.44 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.517 -1.23 . . . . 75.02 112.133 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.49 -42.05 83.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 128.354 3.534 . . . . 30.64 109.487 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.8 t -61.61 -53.46 48.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 124.945 1.403 . . . . 24.4 110.227 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.05 -21.78 58.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 118.921 0.782 . . . . 32.89 111.168 -173.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.69 -41.91 78.54 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.343 -0.943 . . . . 43.2 113.038 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -38.71 73.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.325 -0.86 . . . . 44.12 110.143 176.241 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -60.04 -35.85 76.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 117.342 -1.313 . . . . 25.49 109.988 -176.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.32 78.58 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 125.01 1.444 . . . . 24.45 111.646 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -63.89 -48.63 75.9 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.372 1.469 . . . . 41.72 111.037 170.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -53.35 -46.46 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-O 123.783 1.754 . . . . 20.75 113.427 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 89.8 mt-10 -64.26 -7.78 10.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.934 -1.729 . . . . 37.07 112.749 -178.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 -25.46 64.21 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.374 0.988 . . . . 32.19 110.171 171.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -145.96 80.95 1.59 Allowed 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.331 -0.548 . . . . 23.92 110.214 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.16 -42.7 79.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.615 -0.834 . . . . 41.9 112.921 -171.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.03 95.96 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.093 -1.004 . . . . 19.06 113.056 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.1 96.5 Favored Glycine 0 N--CA 1.453 -0.219 0 O-C-N 120.965 -1.085 . . . . 20.72 112.322 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -70.36 -42.41 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 118.636 -0.697 . . . . 18.63 109.671 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.01 50.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 126.324 1.916 . . . . 24.02 111.751 174.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.6 -55.9 28.67 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.14 -0.624 . . . . 53.5 112.344 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -49.99 -40.86 45.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.224 1.194 . . . . 30.86 114.224 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.09 -44.14 56.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 123.571 1.653 . . . . 21.99 110.654 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.26 -37.1 77.77 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 119.922 -1.736 . . . . 28.93 111.556 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.66 -39.12 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.53 -0.731 . . . . 31.95 110.819 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -45.21 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 120.884 -1.135 . . . . 91.01 110.03 172.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.1 -48.91 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 114.682 1.364 . . . . 26.46 114.682 -178.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -59.9 -47.82 84.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 126.863 2.065 . . . . 30.63 111.742 177.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -62.77 -54.35 40.35 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 117.287 -3.383 . . . . 71.16 111.98 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -40.35 85.2 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.735 -1.12 . . . . 42.86 111.465 -175.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -138.49 75.82 37.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 29.91 112.104 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.85 -26.8 49.93 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 123.207 2.605 . . . . 30.21 114.253 -171.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -61.66 -23.86 66.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.754 0.788 . . . . 43.99 111.905 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.3 p -69.36 -27.76 65.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.284 -0.871 . . . . 29.48 111.305 -178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.87 -28.22 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.558 -0.747 . . . . 34.5 111.406 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -60.91 -21.82 63.74 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.581 1.552 . . . . 78.58 112.93 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -79.74 -19.85 47.79 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.261 -0.576 . . . . 51.51 110.952 -175.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -100.3 95.14 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 123.708 0.803 . . . . 37.65 112.343 -178.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -14.83 43.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 116.308 -1.805 . . . . 81.12 112.429 -179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' NH1' ' O2D' ' A' ' 154' ' ' HEM . 0.0 OUTLIER -75.73 -31.89 59.8 Favored 'General case' 0 C--N 1.312 -1.043 1 C-N-CA 133.401 4.68 . . . . 73.58 113.18 178.131 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -117.77 -12.71 10.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.753 1.02 . . . . 45.47 113.753 -173.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -34.27 -39.65 0.08 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 130.407 3.483 . . . . 77.31 112.951 -178.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -79.41 -17.63 53.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.781 2.432 . . . . 64.15 115.276 -174.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.68 126.34 29.38 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.22 -0.925 . . . . 44.72 109.209 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -104.58 -33.18 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.109 1.151 . . . . 55.29 114.109 -169.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.7 p -133.79 164.68 26.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.517 0.675 . . . . 30.02 110.546 -176.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' ' O2 ' ' A' ' 156' ' ' SO4 . 63.8 tt0 -60.6 -35.44 76.12 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 118.386 -1.326 . . . . 65.61 108.495 -176.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.64 87.25 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.452 1.095 . . . . 51.73 111.528 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -66.07 -40.82 91.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.332 1.053 . . . . 46.51 112.386 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.79 -52.61 64.98 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.487 1.115 . . . . 43.58 111.732 169.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -53.83 -31.52 49.59 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.416 -0.811 . . . . 74.2 111.843 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.84 -3.06 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.587 -0.845 . . . . 35.03 112.801 -171.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 t -77.61 122.21 24.98 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 118.469 -1.292 . . . . 31.92 111.026 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 11.1 tp10 -79.07 -21.02 47.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.211 -0.306 . . . . 96.45 111.396 179.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.66 -43.81 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.943 -0.762 . . . . 73.59 108.943 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.33 -47.97 83.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 125.213 1.571 . . . . 32.61 111.869 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.65 -38.8 82.41 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.03 -0.419 . . . . 82.26 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' A' ' 59' ' ' GLU . 6.7 mtmm -65.47 -44.41 87.26 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.528 1.131 . . . . 89.73 110.655 178.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -63.68 -34.66 78.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.753 -0.658 . . . . 29.48 110.922 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.84 -32.14 80.26 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.036 -1.424 . . . . 25.86 111.605 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.51 -40.44 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.384 1.592 . . . . 26.81 108.313 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.7 m -63.16 -40.37 97.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.08 0.943 . . . . 28.45 112.808 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.95 -46.95 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 122.314 1.054 . . . . 20.84 109.232 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.25 -32.16 62.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.858 -1.151 . . . . 37.78 112.335 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -65.96 -42.87 89.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 120.342 -1.474 . . . . 27.08 112.185 174.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.29 78.38 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 119.711 -1.868 . . . . 25.33 111.278 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.6 tp -66.66 -41.91 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 119.746 -1.846 . . . . 31.66 111.206 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.57 -37.2 74.39 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.324 -0.86 . . . . 26.04 112.057 176.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.5 88.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.275 1.036 . . . . 31.19 109.436 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.21 -43.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.224 -1.353 . . . . 32.79 112.602 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.28 -36.03 80.7 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 126.897 2.079 . . . . 23.52 111.489 -176.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' NZ ' ' OE2' ' A' ' 18' ' ' GLU . 78.3 mttt -70.21 -15.7 62.96 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 116.184 -1.865 . . . . 30.55 111.502 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -78.3 -12.76 60.02 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 126.126 1.771 . . . . 51.17 110.67 174.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt 50.78 42.4 27.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.11 0.957 . . . . 53.82 113.475 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.88 -22.51 25.58 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 115.727 -0.67 . . . . 25.74 112.518 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 265' ' ' HOH . 49.8 m80 -93.44 69.76 4.25 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 119.137 -1.025 . . . . 35.1 110.146 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -120.14 17.57 12.39 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.953 1.094 . . . . 26.87 113.953 -169.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -41.14 -54.31 2.9 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 126.028 1.731 . . . . 75.86 112.862 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.84 88.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.82 -0.61 . . . . 38.19 112.458 -174.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -67.99 -32.94 73.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 125.757 1.911 . . . . 51.28 110.599 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -31.17 63.22 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.908 -1.12 . . . . 52.38 113.624 -177.461 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -64.12 -51.67 60.93 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 122.297 2.317 . . . . 55.22 113.039 -168.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.32 -23.23 24.31 Favored 'Trans proline' 0 C--O 1.243 0.764 0 C-N-CA 116.43 -1.913 . . . . 27.98 111.267 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.08 -46.58 70.61 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.231 0.957 . . . . 54.24 110.307 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.77 90.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 124.007 1.861 . . . . 25.02 109.805 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.31 -46.46 76.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 115.904 -2.318 . . . . 28.75 110.727 -177.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.7 p -66.74 -27.3 67.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.306 0.484 . . . . 33.55 112.306 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -96.97 1.43 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.302 1.049 . . . . 26.12 112.623 -176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.46 -16.5 8.35 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.944 -1.026 . . . . 27.61 111.411 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -43.9 0.88 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 119.07 -2.269 . . . . 46.07 108.489 -179.359 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -51.41 66.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.089 1.313 . . . . 75.19 110.287 175.205 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.1 m -135.82 160.01 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 126.363 1.865 . . . . 47.44 106.742 169.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -114.41 110.65 20.2 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 118.097 -1.441 . . . . 67.81 110.409 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mm -107.79 104.12 51.98 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 114.391 -1.277 . . . . 42.8 112.287 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -66.62 157.22 61.91 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 121.225 1.284 . . . . 34.62 111.86 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . 0.428 ' N ' ' OE1' ' A' ' 152' ' ' GLN . 17.9 mm -56.6 -35.59 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 125.17 1.544 . . . . 41.18 111.866 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -49.38 -46.92 47.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.697 1.599 . . . . 88.91 112.086 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -68.57 -30.1 68.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 117.857 -1.068 . . . . 33.09 111.594 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.47 -36.99 79.75 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 124.064 1.888 . . . . 33.57 108.668 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.58 -41.93 98.34 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 116.828 -1.949 . . . . 57.67 109.989 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -60.88 -42.36 97.78 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.932 -0.707 . . . . 25.7 111.416 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.8 tt -74.64 -27.05 20.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 116.469 -2.093 . . . . 22.49 110.061 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.4 m -57.48 -43.18 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.826 0.822 . . . . 24.17 111.121 172.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.23 -40.03 93.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.092 -1.413 . . . . 70.03 110.196 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.81 -32.1 70.35 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 118.936 -1.106 . . . . 24.19 111.781 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.5 -44.28 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 124.018 1.866 . . . . 20.97 108.536 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.56 -36.86 78.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.094 -1.412 . . . . 28.75 111.056 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -60.24 -53.33 58.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 123.944 1.83 . . . . 34.3 110.593 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.11 -40.38 88.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 113.312 -1.767 . . . . 25.17 111.787 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.3 mt -66.3 -38.67 88.27 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.043 -2.286 . . . . 32.47 110.245 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -60.24 -42.75 95.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 116.939 -1.505 . . . . 39.13 111.852 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.6 m -67.32 -43.66 81.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.872 1.064 . . . . 37.58 113.872 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -94.01 -15.58 24.71 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 118.027 -1.469 . . . . 54.74 113.61 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -133.96 50.24 4.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 113.856 1.058 . . . . 17.97 113.856 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.61 -35.1 99.12 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.076 1.184 . . . . 30.15 113.192 -172.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.91 -12.04 84.24 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 119.156 0.889 . . . . 30.08 114.065 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -116.81 8.83 13.73 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 122.482 1.134 . . . . 28.97 110.018 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.78 52.53 1.99 Allowed 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.302 -1.317 . . . . 23.6 111.784 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.73 -176.44 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 122.307 0.948 . . . . 21.46 111.012 168.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.47 74.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.334 -0.933 . . . . 26.42 112.4 -178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.96 -46.61 88.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 118.79 0.723 . . . . 42.59 111.578 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.31 89.71 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.834 -1.076 . . . . 22.37 111.979 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -70.63 -35.27 72.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.434 -1.706 . . . . 26.38 112.173 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.55 93.32 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 118.022 -2.037 . . . . 20.16 111.944 176.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.62 96.04 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 120.502 -1.587 . . . . 17.41 111.189 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.7 tpp -64.29 -40.11 95.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 123.414 1.578 . . . . 27.49 111.868 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -64.32 -37.83 88.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 120.777 -1.202 . . . . 25.98 113.046 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . 1.5 ' NZ ' ' CE ' ' A' ' 133' ' ' LYS . 1.6 tttt -59.73 -44.34 93.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.724 1.249 . . . . 59.31 112.516 172.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.15 -35.86 82.16 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 119.87 -1.769 . . . . 24.13 111.832 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.17 -35.45 41.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 123.875 1.798 . . . . 28.86 113.566 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -62.54 -43.1 99.66 Favored 'General case' 0 C--O 1.223 -0.331 0 O-C-N 118.306 -2.746 . . . . 46.77 110.906 171.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' LEU . . . . . 0.477 ' O ' ' NZ ' ' A' ' 140' ' ' LYS . 21.0 tp -58.2 -47.71 82.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.61 0.719 . . . . 33.44 110.208 176.487 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -53.55 -52.4 59.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 122.007 0.908 . . . . 34.88 110.914 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 204' ' ' HOH . 19.1 mtm180 -61.72 -37.75 85.35 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 115.385 1.624 . . . . 49.68 115.385 -177.434 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LYS . . . . . 0.477 ' NZ ' ' O ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.24 -39.93 71.36 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.213 -1.555 . . . . 95.09 110.526 -177.48 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 140' ' ' LYS . 63.6 m-20 -64.47 -43.74 93.25 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.383 0.611 . . . . 31.73 110.726 174.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -41.98 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 123.052 1.406 . . . . 37.49 111.634 177.729 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.482 1.61 . . . . 22.31 111.885 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 119.214 -2.179 . . . . 23.69 110.494 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -42.91 80.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.544 -0.862 . . . . 56.81 110.589 174.041 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.99 -42.33 62.87 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 124.641 2.162 . . . . 28.74 111.119 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' LYS . . . . . 1.499 ' NZ ' ' CE ' ' A' ' 147' ' ' LYS . 3.8 mttt -67.02 -43.52 82.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.403 -1.436 . . . . 96.47 112.6 -176.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.41 -27.52 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 65.03 113.154 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 22.4 mt -94.21 -5.65 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.174 -0.954 . . . . 40.55 110.775 -173.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 108.58 14.64 15.35 Favored Glycine 0 C--O 1.235 0.194 0 C-N-CA 119.644 -1.265 . . . . 40.18 114.724 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -134.06 133.46 41.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 117.282 -1.342 . . . . 39.86 113.714 -175.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 101' ' ' ILE . 1.4 pt20 14.48 -108.34 0.0 OUTLIER 'General case' 0 C--O 1.255 1.361 0 C-N-CA 128.418 2.687 . . . . 85.21 111.738 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' GLY . . . . . 0.605 ' OXT' ' CD ' ' A' ' 147' ' ' LYS . . . . . . . . 2 CA--C 1.651 8.584 0 O-C-N 120.145 -1.597 . . . . 0.0 113.205 176.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' SO4 . . . . . 0.446 ' O2 ' ' N ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HEM . . . . . 0.447 ' O2D' ' NH1' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.446 ' O ' ' NH1' ' A' ' 139' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' 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 ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 265' ' ' HOH . . . . . 0.506 ' O ' ' CD2' ' A' ' 81' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 270' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 273' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 275' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 277' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 280' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 281' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 284' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 285' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 286' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 287' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 288' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . 0.609 ' HG2' HD13 ' A' ' 137' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.517 -0.296 0 N-CA-C 109.76 -0.459 . . . . 76.35 109.76 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.6 t -137.52 133.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 123.1 1.429 . . . . 48.22 110.471 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mp -90.95 142.37 27.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 113.847 -1.524 . . . . 35.54 109.005 174.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -79.2 164.13 24.44 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.062 -0.972 . . . . 23.44 109.845 172.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 53.2 tp10 -63.13 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.246 -0.581 . . . . 37.58 109.912 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.8 98.49 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.299 -0.953 . . . . 29.88 111.765 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -68.51 -50.52 51.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.598 1.559 . . . . 32.89 108.263 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.06 -36.83 63.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.021 0.915 . . . . 28.89 111.662 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 25.3 mm100 -65.51 -38.35 89.44 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.517 -1.23 . . . . 75.02 112.133 -178.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.49 -42.05 83.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 128.354 3.534 . . . . 30.64 109.487 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.8 t -61.61 -53.46 48.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 124.945 1.403 . . . . 24.4 110.227 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.05 -21.78 58.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 118.921 0.782 . . . . 32.89 111.168 -173.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.69 -41.91 78.54 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.343 -0.943 . . . . 43.2 113.038 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -38.71 73.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.325 -0.86 . . . . 44.12 110.143 176.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -60.04 -35.85 76.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 117.342 -1.313 . . . . 25.49 109.988 -176.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.32 78.58 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 125.01 1.444 . . . . 24.45 111.646 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -63.89 -48.63 75.9 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.372 1.469 . . . . 41.72 111.037 170.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -53.35 -46.46 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-O 123.783 1.754 . . . . 20.75 113.427 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.26 -7.78 10.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.934 -1.729 . . . . 37.07 112.749 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 -25.46 64.21 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.374 0.988 . . . . 32.19 110.171 171.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -145.96 80.95 1.59 Allowed 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.331 -0.548 . . . . 23.92 110.214 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.16 -42.7 79.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.615 -0.834 . . . . 41.9 112.921 -171.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.03 95.96 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.093 -1.004 . . . . 19.06 113.056 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.1 96.5 Favored Glycine 0 N--CA 1.453 -0.219 0 O-C-N 120.965 -1.085 . . . . 20.72 112.322 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' HE1' ' O ' ' A' ' 213' ' ' HOH . 40.9 m80 -70.36 -42.41 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 118.636 -0.697 . . . . 18.63 109.671 177.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.01 50.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 126.324 1.916 . . . . 24.02 111.751 174.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -59.6 -55.9 28.67 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.14 -0.624 . . . . 53.5 112.344 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -49.99 -40.86 45.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.224 1.194 . . . . 30.86 114.224 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.09 -44.14 56.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 123.571 1.653 . . . . 21.99 110.654 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.26 -37.1 77.77 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 119.922 -1.736 . . . . 28.93 111.556 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.66 -39.12 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.53 -0.731 . . . . 31.95 110.819 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' O ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -53.48 -45.21 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 120.884 -1.135 . . . . 91.01 110.03 172.711 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.1 -48.91 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 114.682 1.364 . . . . 26.46 114.682 -178.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -59.9 -47.82 84.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 126.863 2.065 . . . . 30.63 111.742 177.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -62.77 -54.35 40.35 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 117.287 -3.383 . . . . 71.16 111.98 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . 0.542 ' HB2' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.13 -40.35 85.2 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.735 -1.12 . . . . 42.86 111.465 -175.509 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . 0.659 ' HD2' ' O ' ' A' ' 273' ' ' HOH . 69.9 m80 -138.49 75.82 37.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 29.91 112.104 -175.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.85 -26.8 49.93 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 123.207 2.605 . . . . 30.21 114.253 -171.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 18.0 pm0 -61.66 -23.86 66.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.754 0.788 . . . . 43.99 111.905 179.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.3 p -69.36 -27.76 65.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.284 -0.871 . . . . 29.48 111.305 -178.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.87 -28.22 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.558 -0.747 . . . . 34.5 111.406 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 38' ' ' GLU . 21.3 mt-10 -60.91 -21.82 63.74 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.581 1.552 . . . . 78.58 112.93 178.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -79.74 -19.85 47.79 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.261 -0.576 . . . . 51.51 110.952 -175.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -100.3 95.14 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 123.708 0.803 . . . . 37.65 112.343 -178.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -14.83 43.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 116.308 -1.805 . . . . 81.12 112.429 -179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' NH1' ' O2D' ' A' ' 154' ' ' HEM . 0.0 OUTLIER -75.73 -31.89 59.8 Favored 'General case' 0 C--N 1.312 -1.043 1 C-N-CA 133.401 4.68 . . . . 73.58 113.18 178.131 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -117.77 -12.71 10.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.753 1.02 . . . . 45.47 113.753 -173.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -34.27 -39.65 0.08 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 130.407 3.483 . . . . 77.31 112.951 -178.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -79.41 -17.63 53.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.781 2.432 . . . . 64.15 115.276 -174.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.68 126.34 29.38 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.22 -0.925 . . . . 44.72 109.209 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -104.58 -33.18 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.109 1.151 . . . . 55.29 114.109 -169.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.468 ' HB ' ' S ' ' A' ' 156' ' ' SO4 . 35.7 p -133.79 164.68 26.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.517 0.675 . . . . 30.02 110.546 -176.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -60.6 -35.44 76.12 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 118.386 -1.326 . . . . 65.61 108.495 -176.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.64 87.25 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.452 1.095 . . . . 51.73 111.528 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -66.07 -40.82 91.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.332 1.053 . . . . 46.51 112.386 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.79 -52.61 64.98 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.487 1.115 . . . . 43.58 111.732 169.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -53.83 -31.52 49.59 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.416 -0.811 . . . . 74.2 111.843 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.84 -3.06 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.587 -0.845 . . . . 35.03 112.801 -171.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 t -77.61 122.21 24.98 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 118.469 -1.292 . . . . 31.92 111.026 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 0.978 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp10 -79.07 -21.02 47.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.211 -0.306 . . . . 96.45 111.396 179.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.66 -43.81 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.943 -0.762 . . . . 73.59 108.943 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.33 -47.97 83.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 125.213 1.571 . . . . 32.61 111.869 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.65 -38.8 82.41 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.03 -0.419 . . . . 82.26 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.978 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 6.7 mtmm -65.47 -44.41 87.26 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.528 1.131 . . . . 89.73 110.655 178.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -63.68 -34.66 78.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.753 -0.658 . . . . 29.48 110.922 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.84 -32.14 80.26 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.036 -1.424 . . . . 25.86 111.605 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.51 -40.44 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.384 1.592 . . . . 26.81 108.313 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.7 m -63.16 -40.37 97.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.08 0.943 . . . . 28.45 112.808 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.95 -46.95 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 122.314 1.054 . . . . 20.84 109.232 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.25 -32.16 62.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.858 -1.151 . . . . 37.78 112.335 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -65.96 -42.87 89.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 120.342 -1.474 . . . . 27.08 112.185 174.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.29 78.38 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 119.711 -1.868 . . . . 25.33 111.278 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.6 tp -66.66 -41.91 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 119.746 -1.846 . . . . 31.66 111.206 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.57 -37.2 74.39 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.324 -0.86 . . . . 26.04 112.057 176.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.5 88.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.275 1.036 . . . . 31.19 109.436 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.21 -43.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.224 -1.353 . . . . 32.79 112.602 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.28 -36.03 80.7 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 126.897 2.079 . . . . 23.52 111.489 -176.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -70.21 -15.7 62.96 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 116.184 -1.865 . . . . 30.55 111.502 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -78.3 -12.76 60.02 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 126.126 1.771 . . . . 51.17 110.67 174.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt 50.78 42.4 27.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.11 0.957 . . . . 53.82 113.475 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.88 -22.51 25.58 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 115.727 -0.67 . . . . 25.74 112.518 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . 0.628 ' HD2' ' O ' ' A' ' 265' ' ' HOH . 49.8 m80 -93.44 69.76 4.25 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 119.137 -1.025 . . . . 35.1 110.146 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -120.14 17.57 12.39 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.953 1.094 . . . . 26.87 113.953 -169.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -41.14 -54.31 2.9 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 126.028 1.731 . . . . 75.86 112.862 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.84 88.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.82 -0.61 . . . . 38.19 112.458 -174.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -67.99 -32.94 73.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 125.757 1.911 . . . . 51.28 110.599 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -31.17 63.22 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.908 -1.12 . . . . 52.38 113.624 -177.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -64.12 -51.67 60.93 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 122.297 2.317 . . . . 55.22 113.039 -168.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.32 -23.23 24.31 Favored 'Trans proline' 0 C--O 1.243 0.764 0 C-N-CA 116.43 -1.913 . . . . 27.98 111.267 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.08 -46.58 70.61 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.231 0.957 . . . . 54.24 110.307 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 142' ' ' ILE . . . -65.76 -38.77 90.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 124.007 1.861 . . . . 25.02 109.805 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.31 -46.46 76.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 115.904 -2.318 . . . . 28.75 110.727 -177.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 92.7 p -66.74 -27.3 67.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.306 0.484 . . . . 33.55 112.306 -177.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -96.97 1.43 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.302 1.049 . . . . 26.12 112.623 -176.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.46 -16.5 8.35 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.944 -1.026 . . . . 27.61 111.411 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -43.9 0.88 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 119.07 -2.269 . . . . 46.07 108.489 -179.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -55.31 -51.41 66.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.089 1.313 . . . . 75.19 110.287 175.205 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.1 m -135.82 160.01 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 126.363 1.865 . . . . 47.44 106.742 169.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . 0.65 ' HD3' ' CD1' ' A' ' 151' ' ' TYR . 32.5 mttt -114.41 110.65 20.2 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 118.097 -1.441 . . . . 67.81 110.409 -179.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mm -107.79 104.12 51.98 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 114.391 -1.277 . . . . 42.8 112.287 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -66.62 157.22 61.91 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 121.225 1.284 . . . . 34.62 111.86 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . 0.763 HG12 ' OE1' ' A' ' 152' ' ' GLN . 17.9 mm -56.6 -35.59 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 125.17 1.544 . . . . 41.18 111.866 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -49.38 -46.92 47.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.697 1.599 . . . . 88.91 112.086 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -68.57 -30.1 68.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 117.857 -1.068 . . . . 33.09 111.594 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.47 -36.99 79.75 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 124.064 1.888 . . . . 33.57 108.668 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.58 -41.93 98.34 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 116.828 -1.949 . . . . 57.67 109.989 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -60.88 -42.36 97.78 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.932 -0.707 . . . . 25.7 111.416 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.8 tt -74.64 -27.05 20.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 116.469 -2.093 . . . . 22.49 110.061 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.4 m -57.48 -43.18 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.826 0.822 . . . . 24.17 111.121 172.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.23 -40.03 93.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.092 -1.413 . . . . 70.03 110.196 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.81 -32.1 70.35 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 118.936 -1.106 . . . . 24.19 111.781 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 8.4 mt -66.5 -44.28 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 124.018 1.866 . . . . 20.97 108.536 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.56 -36.86 78.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.094 -1.412 . . . . 28.75 111.056 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -60.24 -53.33 58.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 123.944 1.83 . . . . 34.3 110.593 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.11 -40.38 88.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 113.312 -1.767 . . . . 25.17 111.787 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 111' ' ' ILE . 42.3 mt -66.3 -38.67 88.27 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.043 -2.286 . . . . 32.47 110.245 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -60.24 -42.75 95.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 116.939 -1.505 . . . . 39.13 111.852 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.6 m -67.32 -43.66 81.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.872 1.064 . . . . 37.58 113.872 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -94.01 -15.58 24.71 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 118.027 -1.469 . . . . 54.74 113.61 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -133.96 50.24 4.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 113.856 1.058 . . . . 17.97 113.856 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.61 -35.1 99.12 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.076 1.184 . . . . 30.15 113.192 -172.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.91 -12.04 84.24 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 119.156 0.889 . . . . 30.08 114.065 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -116.81 8.83 13.73 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 122.482 1.134 . . . . 28.97 110.018 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.78 52.53 1.99 Allowed 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.302 -1.317 . . . . 23.6 111.784 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.73 -176.44 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 122.307 0.948 . . . . 21.46 111.012 168.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.47 74.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.334 -0.933 . . . . 26.42 112.4 -178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.96 -46.61 88.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 118.79 0.723 . . . . 42.59 111.578 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.31 89.71 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.834 -1.076 . . . . 22.37 111.979 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -70.63 -35.27 72.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.434 -1.706 . . . . 26.38 112.173 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.55 93.32 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 118.022 -2.037 . . . . 20.16 111.944 176.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.62 96.04 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 120.502 -1.587 . . . . 17.41 111.189 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.7 tpp -64.29 -40.11 95.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 123.414 1.578 . . . . 27.49 111.868 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -64.32 -37.83 88.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 120.777 -1.202 . . . . 25.98 113.046 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . 1.5 ' NZ ' ' CE ' ' A' ' 133' ' ' LYS . 1.6 tttt -59.73 -44.34 93.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.724 1.249 . . . . 59.31 112.516 172.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.15 -35.86 82.16 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 119.87 -1.769 . . . . 24.13 111.832 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.17 -35.45 41.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 123.875 1.798 . . . . 28.86 113.566 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -62.54 -43.1 99.66 Favored 'General case' 0 C--O 1.223 -0.331 0 O-C-N 118.306 -2.746 . . . . 46.77 110.906 171.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' LEU . . . . . 0.759 HD12 ' HZ1' ' A' ' 140' ' ' LYS . 21.0 tp -58.2 -47.71 82.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.61 0.719 . . . . 33.44 110.208 176.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -53.55 -52.4 59.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 122.007 0.908 . . . . 34.88 110.914 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -61.72 -37.75 85.35 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 115.385 1.624 . . . . 49.68 115.385 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LYS . . . . . 0.759 ' HZ1' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.24 -39.93 71.36 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.213 -1.555 . . . . 95.09 110.526 -177.48 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 140' ' ' LYS . 63.6 m-20 -64.47 -43.74 93.25 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.383 0.611 . . . . 31.73 110.726 174.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -62.59 -41.98 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 123.052 1.406 . . . . 37.49 111.634 177.729 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.482 1.61 . . . . 22.31 111.885 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 119.214 -2.179 . . . . 23.69 110.494 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' LYS . . . . . 0.614 ' N ' ' HD3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -67.88 -42.91 80.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.544 -0.862 . . . . 56.81 110.589 174.041 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.99 -42.33 62.87 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 124.641 2.162 . . . . 28.74 111.119 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' LYS . . . . . 1.499 ' NZ ' ' CE ' ' A' ' 147' ' ' LYS . 3.8 mttt -67.02 -43.52 82.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.403 -1.436 . . . . 96.47 112.6 -176.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.41 -27.52 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 65.03 113.154 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 22.4 mt -94.21 -5.65 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.174 -0.954 . . . . 40.55 110.775 -173.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 108.58 14.64 15.35 Favored Glycine 0 C--O 1.235 0.194 0 C-N-CA 119.644 -1.265 . . . . 40.18 114.724 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' TYR . . . . . 0.65 ' CD1' ' HD3' ' A' ' 98' ' ' LYS . 45.3 t80 -134.06 133.46 41.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 117.282 -1.342 . . . . 39.86 113.714 -175.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 152' ' ' GLN . . . . . 0.804 ' O ' ' HG3' ' A' ' 147' ' ' LYS . 1.4 pt20 14.48 -108.34 0.0 OUTLIER 'General case' 0 C--O 1.255 1.361 0 C-N-CA 128.418 2.687 . . . . 85.21 111.738 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 153' ' ' GLY . . . . . 0.829 ' OXT' ' HD2' ' A' ' 147' ' ' LYS . . . . . . . . 2 CA--C 1.651 8.584 0 O-C-N 120.145 -1.597 . . . . 0.0 113.205 176.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 156' ' ' SO4 . . . . . 0.468 ' S ' ' HB ' ' A' ' 51' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HEM . . . . . 0.447 ' O2D' ' NH1' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . 0.533 ' O ' ' HE1' ' A' ' 24' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 265' ' ' HOH . . . . . 0.628 ' O ' ' HD2' ' A' ' 81' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 270' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 273' ' ' HOH . . . . . 0.659 ' O ' ' HD2' ' A' ' 36' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 275' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 277' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 279' ' ' HOH . . . . . 0.444 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 280' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 281' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 284' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 285' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 286' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 287' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 288' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . 0.609 ' HG2' HD13 ' A' ' 137' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.517 -0.296 0 N-CA-C 109.76 -0.459 . . . . 76.35 109.76 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.6 t -137.52 133.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 123.1 1.429 . . . . 48.22 110.471 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mp -90.95 142.37 27.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 113.847 -1.524 . . . . 35.54 109.005 174.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -79.2 164.13 24.44 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.062 -0.972 . . . . 23.44 109.845 172.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 53.2 tp10 -63.13 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.246 -0.581 . . . . 37.58 109.912 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.8 98.49 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.299 -0.953 . . . . 29.88 111.765 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -68.51 -50.52 51.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.598 1.559 . . . . 32.89 108.263 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.06 -36.83 63.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.021 0.915 . . . . 28.89 111.662 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 25.3 mm100 -65.51 -38.35 89.44 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 117.517 -1.23 . . . . 75.02 112.133 -178.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.49 -42.05 83.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 128.354 3.534 . . . . 30.64 109.487 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.8 t -61.61 -53.46 48.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 124.945 1.403 . . . . 24.4 110.227 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.05 -21.78 58.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 118.921 0.782 . . . . 32.89 111.168 -173.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -68.69 -41.91 78.54 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.343 -0.943 . . . . 43.2 113.038 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -38.71 73.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.325 -0.86 . . . . 44.12 110.143 176.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -60.04 -35.85 76.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 117.342 -1.313 . . . . 25.49 109.988 -176.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.32 78.58 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 125.01 1.444 . . . . 24.45 111.646 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -63.89 -48.63 75.9 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.372 1.469 . . . . 41.72 111.037 170.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -53.35 -46.46 57.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-O 123.783 1.754 . . . . 20.75 113.427 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.26 -7.78 10.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.934 -1.729 . . . . 37.07 112.749 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 -25.46 64.21 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.374 0.988 . . . . 32.19 110.171 171.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -145.96 80.95 1.59 Allowed 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.331 -0.548 . . . . 23.92 110.214 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.16 -42.7 79.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.615 -0.834 . . . . 41.9 112.921 -171.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.03 95.96 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.093 -1.004 . . . . 19.06 113.056 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -39.1 96.5 Favored Glycine 0 N--CA 1.453 -0.219 0 O-C-N 120.965 -1.085 . . . . 20.72 112.322 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' HE1' ' O ' ' A' ' 213' ' ' HOH . 40.9 m80 -70.36 -42.41 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 118.636 -0.697 . . . . 18.63 109.671 177.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.01 50.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 126.324 1.916 . . . . 24.02 111.751 174.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.6 -55.9 28.67 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.14 -0.624 . . . . 53.5 112.344 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -49.99 -40.86 45.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.224 1.194 . . . . 30.86 114.224 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.09 -44.14 56.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 123.571 1.653 . . . . 21.99 110.654 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.26 -37.1 77.77 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 119.922 -1.736 . . . . 28.93 111.556 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.66 -39.12 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.53 -0.731 . . . . 31.95 110.819 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' O ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -53.48 -45.21 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 120.884 -1.135 . . . . 91.01 110.03 172.711 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.1 -48.91 69.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 114.682 1.364 . . . . 26.46 114.682 -178.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -59.9 -47.82 84.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 126.863 2.065 . . . . 30.63 111.742 177.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -62.77 -54.35 40.35 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 117.287 -3.383 . . . . 71.16 111.98 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . 0.542 ' HB2' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.13 -40.35 85.2 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.735 -1.12 . . . . 42.86 111.465 -175.509 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -138.49 75.82 37.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 29.91 112.104 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.85 -26.8 49.93 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 123.207 2.605 . . . . 30.21 114.253 -171.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 18.0 pm0 -61.66 -23.86 66.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.754 0.788 . . . . 43.99 111.905 179.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.3 p -69.36 -27.76 65.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.284 -0.871 . . . . 29.48 111.305 -178.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.87 -28.22 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.558 -0.747 . . . . 34.5 111.406 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 38' ' ' GLU . 21.3 mt-10 -60.91 -21.82 63.74 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 125.581 1.552 . . . . 78.58 112.93 178.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -79.74 -19.85 47.79 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.261 -0.576 . . . . 51.51 110.952 -175.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -100.3 95.14 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 123.708 0.803 . . . . 37.65 112.343 -178.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -14.83 43.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 116.308 -1.805 . . . . 81.12 112.429 -179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' NH1' ' O2D' ' A' ' 154' ' ' HEM . 0.0 OUTLIER -75.73 -31.89 59.8 Favored 'General case' 0 C--N 1.312 -1.043 1 C-N-CA 133.401 4.68 . . . . 73.58 113.18 178.131 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -117.77 -12.71 10.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.753 1.02 . . . . 45.47 113.753 -173.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -34.27 -39.65 0.08 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 130.407 3.483 . . . . 77.31 112.951 -178.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -79.41 -17.63 53.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.781 2.432 . . . . 64.15 115.276 -174.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.68 126.34 29.38 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.22 -0.925 . . . . 44.72 109.209 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -104.58 -33.18 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.109 1.151 . . . . 55.29 114.109 -169.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.468 ' HB ' ' S ' ' A' ' 156' ' ' SO4 . 35.7 p -133.79 164.68 26.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.517 0.675 . . . . 30.02 110.546 -176.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -60.6 -35.44 76.12 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 118.386 -1.326 . . . . 65.61 108.495 -176.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.64 87.25 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.452 1.095 . . . . 51.73 111.528 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -66.07 -40.82 91.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.332 1.053 . . . . 46.51 112.386 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.79 -52.61 64.98 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.487 1.115 . . . . 43.58 111.732 169.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -53.83 -31.52 49.59 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.416 -0.811 . . . . 74.2 111.843 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.84 -3.06 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.587 -0.845 . . . . 35.03 112.801 -171.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 t -77.61 122.21 24.98 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 118.469 -1.292 . . . . 31.92 111.026 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.978 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp10 -79.07 -21.02 47.39 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.211 -0.306 . . . . 96.45 111.396 179.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.66 -43.81 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.943 -0.762 . . . . 73.59 108.943 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.33 -47.97 83.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 125.213 1.571 . . . . 32.61 111.869 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.65 -38.8 82.41 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.03 -0.419 . . . . 82.26 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.978 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 6.7 mtmm -65.47 -44.41 87.26 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.528 1.131 . . . . 89.73 110.655 178.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -63.68 -34.66 78.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.753 -0.658 . . . . 29.48 110.922 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.84 -32.14 80.26 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.036 -1.424 . . . . 25.86 111.605 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.51 -40.44 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 119.384 1.592 . . . . 26.81 108.313 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.7 m -63.16 -40.37 97.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.08 0.943 . . . . 28.45 112.808 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.95 -46.95 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 122.314 1.054 . . . . 20.84 109.232 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.25 -32.16 62.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.858 -1.151 . . . . 37.78 112.335 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -65.96 -42.87 89.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 120.342 -1.474 . . . . 27.08 112.185 174.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.29 78.38 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 119.711 -1.868 . . . . 25.33 111.278 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.6 tp -66.66 -41.91 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 119.746 -1.846 . . . . 31.66 111.206 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.57 -37.2 74.39 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.324 -0.86 . . . . 26.04 112.057 176.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.5 88.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.275 1.036 . . . . 31.19 109.436 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.21 -43.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.224 -1.353 . . . . 32.79 112.602 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.28 -36.03 80.7 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 126.897 2.079 . . . . 23.52 111.489 -176.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -70.21 -15.7 62.96 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 116.184 -1.865 . . . . 30.55 111.502 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -78.3 -12.76 60.02 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 126.126 1.771 . . . . 51.17 110.67 174.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt 50.78 42.4 27.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.11 0.957 . . . . 53.82 113.475 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.88 -22.51 25.58 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 115.727 -0.67 . . . . 25.74 112.518 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.628 ' HD2' ' O ' ' A' ' 265' ' ' HOH . 49.8 m80 -93.44 69.76 4.25 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 119.137 -1.025 . . . . 35.1 110.146 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -120.14 17.57 12.39 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.953 1.094 . . . . 26.87 113.953 -169.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -41.14 -54.31 2.9 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 126.028 1.731 . . . . 75.86 112.862 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.84 88.59 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.82 -0.61 . . . . 38.19 112.458 -174.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -67.99 -32.94 73.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 125.757 1.911 . . . . 51.28 110.599 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -31.17 63.22 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 120.908 -1.12 . . . . 52.38 113.624 -177.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -64.12 -51.67 60.93 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 122.297 2.317 . . . . 55.22 113.039 -168.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.32 -23.23 24.31 Favored 'Trans proline' 0 C--O 1.243 0.764 0 C-N-CA 116.43 -1.913 . . . . 27.98 111.267 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.08 -46.58 70.61 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.231 0.957 . . . . 54.24 110.307 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 142' ' ' ILE . . . -65.76 -38.77 90.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 124.007 1.861 . . . . 25.02 109.805 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.31 -46.46 76.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 115.904 -2.318 . . . . 28.75 110.727 -177.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 92.7 p -66.74 -27.3 67.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.306 0.484 . . . . 33.55 112.306 -177.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -96.97 1.43 50.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.302 1.049 . . . . 26.12 112.623 -176.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.46 -16.5 8.35 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.944 -1.026 . . . . 27.61 111.411 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.95 -43.9 0.88 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 119.07 -2.269 . . . . 46.07 108.489 -179.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -55.31 -51.41 66.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.089 1.313 . . . . 75.19 110.287 175.205 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.1 m -135.82 160.01 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 126.363 1.865 . . . . 47.44 106.742 169.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.65 ' HD3' ' CD1' ' A' ' 151' ' ' TYR . 32.5 mttt -114.41 110.65 20.2 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 118.097 -1.441 . . . . 67.81 110.409 -179.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.3 mm -107.79 104.12 51.98 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 114.391 -1.277 . . . . 42.8 112.287 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -66.62 157.22 61.91 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 121.225 1.284 . . . . 34.62 111.86 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.763 HG12 ' OE1' ' A' ' 152' ' ' GLN . 17.9 mm -56.6 -35.59 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 125.17 1.544 . . . . 41.18 111.866 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -49.38 -46.92 47.89 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.697 1.599 . . . . 88.91 112.086 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -68.57 -30.1 68.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 117.857 -1.068 . . . . 33.09 111.594 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.47 -36.99 79.75 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 124.064 1.888 . . . . 33.57 108.668 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.58 -41.93 98.34 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 116.828 -1.949 . . . . 57.67 109.989 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -60.88 -42.36 97.78 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.932 -0.707 . . . . 25.7 111.416 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.8 tt -74.64 -27.05 20.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 116.469 -2.093 . . . . 22.49 110.061 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.4 m -57.48 -43.18 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.826 0.822 . . . . 24.17 111.121 172.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.23 -40.03 93.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.092 -1.413 . . . . 70.03 110.196 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.81 -32.1 70.35 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 118.936 -1.106 . . . . 24.19 111.781 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 8.4 mt -66.5 -44.28 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 124.018 1.866 . . . . 20.97 108.536 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.56 -36.86 78.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 114.094 -1.412 . . . . 28.75 111.056 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -60.24 -53.33 58.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 123.944 1.83 . . . . 34.3 110.593 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.11 -40.38 88.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 113.312 -1.767 . . . . 25.17 111.787 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 111' ' ' ILE . 42.3 mt -66.3 -38.67 88.27 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.043 -2.286 . . . . 32.47 110.245 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.504 ' HD2' ' O ' ' A' ' 233' ' ' HOH . 81.5 t60 -60.24 -42.75 95.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 116.939 -1.505 . . . . 39.13 111.852 175.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.6 m -67.32 -43.66 81.07 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.872 1.064 . . . . 37.58 113.872 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -94.01 -15.58 24.71 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 118.027 -1.469 . . . . 54.74 113.61 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -133.96 50.24 4.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 113.856 1.058 . . . . 17.97 113.856 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.61 -35.1 99.12 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.076 1.184 . . . . 30.15 113.192 -172.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.91 -12.04 84.24 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 119.156 0.889 . . . . 30.08 114.065 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -116.81 8.83 13.73 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 122.482 1.134 . . . . 28.97 110.018 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.78 52.53 1.99 Allowed 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.302 -1.317 . . . . 23.6 111.784 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.73 -176.44 12.1 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 122.307 0.948 . . . . 21.46 111.012 168.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.47 74.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.334 -0.933 . . . . 26.42 112.4 -178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.96 -46.61 88.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 118.79 0.723 . . . . 42.59 111.578 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.31 89.71 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 114.834 -1.076 . . . . 22.37 111.979 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -70.63 -35.27 72.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.434 -1.706 . . . . 26.38 112.173 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.55 93.32 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 118.022 -2.037 . . . . 20.16 111.944 176.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.62 96.04 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 120.502 -1.587 . . . . 17.41 111.189 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 58.7 tpp -64.29 -40.11 95.28 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 123.414 1.578 . . . . 27.49 111.868 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -64.32 -37.83 88.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 120.777 -1.202 . . . . 25.98 113.046 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . 1.5 ' NZ ' ' CE ' ' A' ' 133' ' ' LYS . 1.6 tttt -59.73 -44.34 93.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.724 1.249 . . . . 59.31 112.516 172.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.15 -35.86 82.16 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 119.87 -1.769 . . . . 24.13 111.832 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.17 -35.45 41.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 123.875 1.798 . . . . 28.86 113.566 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -62.54 -43.1 99.66 Favored 'General case' 0 C--O 1.223 -0.331 0 O-C-N 118.306 -2.746 . . . . 46.77 110.906 171.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.759 HD12 ' HZ1' ' A' ' 140' ' ' LYS . 21.0 tp -58.2 -47.71 82.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.61 0.719 . . . . 33.44 110.208 176.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -53.55 -52.4 59.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 122.007 0.908 . . . . 34.88 110.914 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -61.72 -37.75 85.35 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 115.385 1.624 . . . . 49.68 115.385 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.759 ' HZ1' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -71.24 -39.93 71.36 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.213 -1.555 . . . . 95.09 110.526 -177.48 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 140' ' ' LYS . 63.6 m-20 -64.47 -43.74 93.25 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.383 0.611 . . . . 31.73 110.726 174.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -62.59 -41.98 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 123.052 1.406 . . . . 37.49 111.634 177.729 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 123.482 1.61 . . . . 22.31 111.885 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 119.214 -2.179 . . . . 23.69 110.494 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.614 ' N ' ' HD3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -67.88 -42.91 80.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.544 -0.862 . . . . 56.81 110.589 174.041 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.99 -42.33 62.87 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 124.641 2.162 . . . . 28.74 111.119 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' LYS . . . . . 1.499 ' NZ ' ' CE ' ' A' ' 147' ' ' LYS . 3.8 mttt -67.02 -43.52 82.64 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.403 -1.436 . . . . 96.47 112.6 -176.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.41 -27.52 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 65.03 113.154 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 22.4 mt -94.21 -5.65 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.174 -0.954 . . . . 40.55 110.775 -173.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 108.58 14.64 15.35 Favored Glycine 0 C--O 1.235 0.194 0 C-N-CA 119.644 -1.265 . . . . 40.18 114.724 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.65 ' CD1' ' HD3' ' A' ' 98' ' ' LYS . 45.3 t80 -134.06 133.46 41.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 117.282 -1.342 . . . . 39.86 113.714 -175.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.804 ' O ' ' HG3' ' A' ' 147' ' ' LYS . 1.4 pt20 14.48 -108.34 0.0 OUTLIER 'General case' 0 C--O 1.255 1.361 0 C-N-CA 128.418 2.687 . . . . 85.21 111.738 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.829 ' OXT' ' HD2' ' A' ' 147' ' ' LYS . . . . . . . . 2 CA--C 1.651 8.584 0 O-C-N 120.145 -1.597 . . . . 0.0 113.205 176.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' SO4 . . . . . 0.468 ' S ' ' HB ' ' A' ' 51' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.447 ' O2D' ' NH1' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . 0.533 ' O ' ' HE1' ' A' ' 24' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . 0.504 ' O ' ' HD2' ' A' ' 116' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . 0.402 ' O ' ' HE1' ' A' ' 116' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 265' ' ' HOH . . . . . 0.628 ' O ' ' HD2' ' A' ' 81' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 270' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 273' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 275' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 277' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 279' ' ' HOH . . . . . 0.444 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 280' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 281' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 284' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 285' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 286' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 287' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 288' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_