data_1vfb_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 1vfb _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 ' 1' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 101.513 -3.514 . . . . 38.08 101.513 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.8 132.08 32.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 105.278 -2.119 . . . . 26.56 105.278 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.85 147.71 12.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.995 -1.483 . . . . 30.0 106.995 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 mt -114.85 128.43 56.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 120.491 -1.381 . . . . 30.0 108.765 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -102.85 112.51 25.34 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 105.399 -2.075 . . . . 20.0 105.399 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.05 139.6 39.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 118.765 -0.636 . . . . 20.0 109.9 -177.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 p -150.33 156.06 37.02 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.612 -1.625 . . . . 20.92 106.612 175.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -78.42 170.98 68.36 Favored 'Cis proline' 0 N--CA 1.459 -0.555 0 C-N-CA 124.528 -1.03 . . . . 18.27 112.331 -2.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.94 77.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.196 -0.431 . . . . 20.0 111.708 174.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -143.88 153.84 42.74 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 126.239 1.816 . . . . 34.48 107.257 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mt -137.42 133.0 34.25 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 104.534 -2.395 . . . . 32.46 104.534 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -104.62 131.88 51.51 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 104.135 -2.543 . . . . 37.49 104.135 172.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.01 153.88 38.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 122.421 1.105 . . . . 25.54 110.983 -176.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 m -97.65 157.98 15.75 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 106.958 -1.497 . . . . 34.68 106.958 175.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.78 133.04 25.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-O 124.185 1.945 . . . . 24.33 107.327 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.36 -17.68 56.49 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-O 115.603 -2.776 . . . . 23.97 109.751 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.7 157.82 36.56 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 121.909 2.855 . . . . 44.72 113.848 173.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -104.56 138.61 40.66 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.071 -1.455 . . . . 27.56 107.071 170.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.12 162.78 38.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 119.943 -1.723 . . . . 20.0 108.437 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -135.99 136.6 40.47 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.73 -0.841 . . . . 29.75 108.73 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -120.28 139.33 47.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 105.001 -2.222 . . . . 22.55 105.001 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.6 p -122.17 149.74 43.21 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 122.819 2.554 . . . . 22.72 115.149 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.43 126.42 38.73 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.605 -1.628 . . . . 24.36 106.605 173.288 -87.826 -154.466 -89.731 103.852 1.995 104.557 -131.282 58.357 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -113.02 127.9 56.35 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.023 -1.103 . . . . 35.29 108.023 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.67 141.18 28.73 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.646 0.98 . . . . 20.0 113.646 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.9 p -72.05 -9.04 57.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 121.706 2.048 . . . . 24.64 112.257 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.95 160.97 29.12 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 107.909 -2.076 . . . . 20.0 107.909 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -61.49 120.77 11.16 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 117.459 0.63 . . . . 23.36 111.476 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.8 pt -103.11 5.17 10.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 121.591 -0.693 . . . . 20.0 112.563 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 55.62 39.88 30.96 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.839 1.792 . . . . 20.73 115.839 170.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.96 3.01 4.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 116.464 2.024 . . . . 38.99 116.464 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -86.15 76.23 9.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.728 2.058 . . . . 20.0 106.71 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.42 139.4 38.89 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.85 -1.537 . . . . 20.0 106.85 -177.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.16 152.98 47.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.51 -0.768 . . . . 20.0 111.505 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -121.42 140.44 52.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.014 -1.054 . . . . 20.0 108.949 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -126.04 149.12 49.09 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.391 1.076 . . . . 20.0 109.591 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -109.53 138.75 45.43 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.414 -1.328 . . . . 26.08 107.414 171.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -129.49 114.86 16.64 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.141 -1.429 . . . . 23.12 107.141 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -79.81 154.23 28.59 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.857 0.863 . . . . 43.61 108.692 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.5 118.0 2.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.947 0.779 . . . . 64.32 111.126 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.99 24.3 75.85 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 112.978 -1.919 . . . . 40.07 115.19 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.85 169.89 11.11 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 121.865 2.833 . . . . 48.93 107.07 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m -70.8 152.42 95.12 Favored Pre-proline 0 C--O 1.243 0.747 0 N-CA-C 108.857 -0.794 . . . . 24.38 108.857 174.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.44 149.41 66.09 Favored 'Trans proline' 0 N--CA 1.439 -1.694 0 C-N-CA 122.68 2.253 . . . . 18.29 108.678 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -130.48 130.0 43.65 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.441 -1.318 . . . . 47.37 107.441 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.06 126.53 27.68 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.291 1.043 . . . . 20.0 112.973 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -103.14 -50.6 3.45 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 115.922 1.823 . . . . 21.12 115.922 171.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.33 137.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 107.166 -1.42 . . . . 20.0 107.166 -170.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -131.37 164.95 24.55 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 107.421 -1.325 . . . . 24.31 107.421 173.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.9 t80 40.59 53.37 3.07 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 126.347 1.859 . . . . 20.02 111.853 -175.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 m 65.5 -39.97 0.3 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.913 2.56 . . . . 20.0 117.913 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -131.53 -13.86 3.32 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 121.751 2.068 . . . . 22.45 113.965 -167.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -89.51 121.59 31.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.295 -1.503 . . . . 24.75 111.021 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.39 137.63 50.64 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 113.833 -1.53 . . . . 25.64 111.494 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.48 160.3 31.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 107.445 -1.317 . . . . 26.38 107.445 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.24 127.24 31.13 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.978 1.371 . . . . 50.2 111.613 178.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.52 -7.88 80.68 Favored Glycine 0 N--CA 1.441 -1.015 0 CA-C-O 116.064 -2.52 . . . . 36.41 112.526 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.1 t -77.62 131.04 72.03 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 123.285 3.542 . . . . 29.73 107.695 179.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.47 150.33 88.81 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.264 2.643 . . . . 27.13 113.234 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.0 p -69.77 -6.82 34.7 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 114.649 1.352 . . . . 38.54 114.649 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -68.88 -13.95 62.74 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 118.942 -1.103 . . . . 26.13 111.131 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -88.05 128.11 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 120.638 1.563 . . . . 24.53 110.536 173.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.4 p -137.61 140.95 41.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.092 -1.63 . . . . 24.64 111.259 172.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.2 151.2 18.11 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 109.221 -1.552 . . . . 20.62 109.221 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -150.18 172.09 15.87 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.337 -1.357 . . . . 23.15 107.337 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.01 166.97 11.43 Favored Glycine 0 C--O 1.248 1.007 0 N-CA-C 110.492 -1.043 . . . . 28.22 110.492 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -162.25 158.25 24.08 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 106.221 -1.77 . . . . 41.97 106.221 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.1 -99.05 0.15 Allowed Glycine 0 C--O 1.24 0.52 0 C-N-CA 120.525 -0.845 . . . . 28.45 112.266 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.4 p -124.47 -11.21 7.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 118.001 2.593 . . . . 30.93 118.001 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.72 135.93 53.4 Favored 'General case' 0 C--O 1.249 1.071 1 CA-C-N 126.624 4.284 . . . . 49.29 107.451 173.42 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -135.64 147.3 48.56 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.205 -0.907 . . . . 21.04 109.925 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.1 m -134.11 147.09 50.79 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 114.607 1.336 . . . . 28.48 114.607 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.9 tp -113.02 127.41 56.22 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 104.285 -2.487 . . . . 20.0 104.285 170.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -115.48 139.37 50.11 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.577 -1.638 . . . . 46.47 106.577 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.5 mt -123.01 112.74 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 103.276 -2.861 . . . . 23.2 103.276 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.89 133.43 35.68 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 117.642 -1.17 . . . . 43.74 111.669 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.7 m 50.88 61.64 3.13 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 124.429 2.062 . . . . 37.3 112.02 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.91 148.59 49.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 124.336 2.017 . . . . 29.81 113.557 -175.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -115.73 161.18 31.83 Favored Pre-proline 0 C--N 1.312 -1.043 0 CA-C-O 116.063 -1.922 . . . . 37.29 108.493 -167.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.8 -39.83 31.46 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 124.882 3.721 . . . . 20.67 115.033 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -79.19 2.13 22.13 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 118.889 -2.382 . . . . 40.74 115.028 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -87.26 -11.01 50.94 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.515 1.507 . . . . 21.79 112.342 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.16 138.44 49.6 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 119.495 -2.003 . . . . 26.79 108.968 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.62 -165.09 32.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 107.988 -2.045 . . . . 20.72 107.988 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 m -103.42 154.34 19.53 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 123.564 1.65 . . . . 22.39 109.117 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -133.3 140.95 47.73 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 113.644 -1.616 . . . . 20.0 106.797 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -135.77 143.6 45.35 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.317 1.047 . . . . 20.0 110.836 -175.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.62 153.9 24.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 105.199 -2.149 . . . . 20.0 105.199 172.785 58.357 -131.282 -89.731 104.557 1.995 103.852 -154.466 -87.826 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -142.66 139.84 31.37 Favored 'General case' 0 C--O 1.247 0.96 0 N-CA-C 108.712 -0.847 . . . . 20.0 108.712 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CD2' ' H ' ' A' ' 92' ' ' TRP . 23.8 p-80 -102.74 158.16 16.45 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 120.226 1.375 . . . . 20.0 108.323 177.969 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.48 38.29 3.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 122.937 0.495 . . . . 20.0 112.059 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TRP . . . . . 0.518 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 75.9 t-105 -100.04 111.68 23.98 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 104.373 -2.454 . . . . 20.0 104.373 -178.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t 48.79 -150.76 0.16 Allowed 'General case' 0 N--CA 1.44 -0.935 0 O-C-N 124.421 1.076 . . . . 20.0 112.109 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.9 p -135.09 156.84 77.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 120.398 -1.439 . . . . 24.31 108.167 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -70.24 148.38 87.69 Favored 'Cis proline' 0 N--CA 1.454 -0.81 0 CA-C-N 124.279 2.564 . . . . 20.09 113.448 -4.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -81.18 150.31 28.72 Favored 'General case' 0 C--N 1.338 0.074 0 N-CA-C 108.486 -0.931 . . . . 20.0 108.486 172.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.0 p -136.21 165.58 25.42 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 119.99 -1.694 . . . . 20.0 107.532 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -114.16 154.86 27.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.262 1.601 . . . . 20.0 109.963 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.53 165.82 54.74 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 107.147 -2.381 . . . . 20.0 107.147 170.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.2 -8.48 83.43 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 119.785 1.792 . . . . 20.0 114.037 -176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.07 145.48 18.62 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 122.174 2.987 . . . . 20.0 113.25 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 93.3 m -130.01 125.08 34.46 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.745 -1.946 . . . . 20.0 105.745 175.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -90.54 117.14 28.99 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.188 0.518 . . . . 54.9 109.626 173.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -97.66 117.48 32.05 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.193 -2.151 . . . . 24.05 105.193 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.28 156.0 44.69 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.919 0.866 . . . . 52.67 112.999 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.46 136.19 26.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 112.474 -2.148 . . . . 45.1 112.684 -176.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt . . . . . 0 N--CA 1.441 -0.906 1 N-CA-C 99.398 -4.297 . . . . 59.01 99.398 172.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.45 -0.466 1 N-CA-C 99.254 -4.35 . . . . 69.55 99.254 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 75.2 t -87.4 127.52 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 121.52 1.964 . . . . 33.03 105.852 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -129.6 137.08 50.5 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.42 1.088 . . . . 51.19 110.311 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.93 135.34 48.23 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 104.403 -2.443 . . . . 20.0 104.403 169.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -138.64 122.7 17.93 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.883 0.873 . . . . 40.55 111.492 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -91.66 148.15 22.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 123.503 0.721 . . . . 24.58 110.178 -178.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.9 m -140.39 135.14 31.79 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 103.399 -2.815 . . . . 34.35 103.399 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.91 -179.35 27.48 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 110.699 -0.96 . . . . 31.35 110.699 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -76.09 -17.32 17.32 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.203 3.269 . . . . 38.03 116.579 -174.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -53.6 4.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 119.043 -2.286 . . . . 36.7 114.833 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 tp -138.13 137.48 37.72 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 119.291 -2.299 . . . . 40.92 105.799 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -145.18 149.49 16.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 122.598 1.189 . . . . 43.84 111.616 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.67 151.06 40.71 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 105.847 -1.909 . . . . 56.28 105.847 175.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.89 -24.58 0.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 1 C-N-CA 125.949 4.432 . . . . 69.08 118.185 169.923 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -76.3 -6.36 51.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.777 1.028 . . . . 75.68 113.777 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.66 162.41 13.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 119.912 -1.743 . . . . 69.99 109.198 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.3 m -100.58 140.93 34.14 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 104.096 -2.557 . . . . 65.4 104.096 171.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -88.4 134.56 33.8 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 120.476 -1.39 . . . . 54.59 110.551 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -128.21 129.49 46.52 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.117 -2.179 . . . . 39.95 105.117 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -124.78 141.17 45.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 104.832 -2.284 . . . . 26.49 104.832 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.3 m -107.95 140.74 40.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.425 0.631 . . . . 21.49 110.68 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 40.7 t -116.05 113.89 23.81 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.042 -1.466 . . . . 20.0 107.042 169.471 177.628 103.457 77.816 102.654 2.015 103.745 159.301 56.237 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -102.85 126.81 50.14 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 104.001 -2.592 . . . . 20.0 104.001 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.15 160.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 121.403 -0.811 . . . . 20.0 112.284 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -153.72 154.12 33.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.062 1.411 . . . . 27.74 107.912 173.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.38 -4.4 66.94 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 116.074 -2.514 . . . . 23.03 109.541 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -155.04 161.77 41.24 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 122.926 3.363 . . . . 21.31 109.662 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 t -91.77 142.22 27.83 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.659 -1.275 . . . . 30.58 110.895 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -74.14 -13.02 60.75 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 119.999 -0.68 . . . . 22.97 112.377 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 63.3 p -74.75 -26.05 59.51 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 120.225 -1.547 . . . . 26.72 110.848 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.96 -2.8 59.33 Favored Glycine 0 C--N 1.344 1.013 0 O-C-N 118.125 -2.86 . . . . 20.88 115.134 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -142.36 154.15 44.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.166 1.983 . . . . 24.53 112.08 -174.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.84 159.57 24.72 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 118.708 -1.711 . . . . 20.0 109.271 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.12 129.65 72.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 119.816 -1.991 . . . . 20.0 105.805 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.59 157.46 18.04 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.486 -1.301 . . . . 20.0 107.486 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -123.98 132.55 53.72 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 103.929 -2.619 . . . . 20.0 103.929 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -135.68 139.62 45.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 114.093 -1.412 . . . . 20.0 109.125 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -124.4 163.73 21.15 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 118.91 -2.368 . . . . 24.47 111.141 173.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -139.76 106.94 6.96 Favored Pre-proline 0 C--O 1.242 0.697 0 O-C-N 120.736 -1.228 . . . . 21.0 108.444 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -62.23 155.69 55.21 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 124.396 3.397 . . . . 25.08 109.109 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -49.3 120.65 5.91 Favored 'Trans proline' 0 CA--C 1.51 -0.678 0 C-N-CA 124.531 3.487 . . . . 33.24 110.689 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.02 29.83 59.77 Favored Glycine 0 CA--C 1.523 0.546 0 O-C-N 125.734 1.896 . . . . 34.06 113.581 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -119.28 -178.7 3.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.134 0.967 . . . . 53.25 110.049 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.35 -179.67 45.22 Favored Glycine 0 N--CA 1.443 -0.855 0 O-C-N 121.568 -0.707 . . . . 20.86 111.615 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.91 146.6 30.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 121.314 -1.109 . . . . 20.0 111.482 -175.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -130.6 125.53 34.36 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 117.394 -1.289 . . . . 34.68 108.302 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -78.58 131.65 36.83 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.364 0.984 . . . . 20.0 110.752 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.0 -36.96 7.99 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 121.19 -0.944 . . . . 20.0 112.928 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 159.03 -176.18 35.89 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 119.307 0.958 . . . . 20.0 111.655 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.5 ptm -156.53 166.34 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.691 0.758 . . . . 20.0 112.46 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 tt -135.76 124.36 38.49 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 N-CA-C 102.976 -2.972 . . . . 20.0 102.976 172.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -73.69 164.83 26.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 109.165 -3.652 . . . . 20.0 110.903 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.86 -37.2 57.12 Favored Glycine 0 N--CA 1.463 0.444 0 C-N-CA 124.431 1.015 . . . . 20.0 112.263 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -79.74 1.45 26.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 116.735 2.124 . . . . 21.88 116.735 176.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.88 -11.04 70.08 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 119.506 -1.996 . . . . 20.0 116.437 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -69.27 147.0 51.82 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 120.119 -1.813 . . . . 20.0 109.474 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -119.97 152.49 37.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.442 0.297 . . . . 20.0 111.57 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.97 142.12 32.95 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 105.207 -2.146 . . . . 22.9 105.207 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -130.45 155.25 46.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.304 1.05 . . . . 20.0 113.371 -171.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -55.85 132.07 48.57 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 105.929 -1.878 . . . . 21.74 105.929 171.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.9 m -55.58 -44.57 77.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.697 1.369 . . . . 35.2 114.697 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.11 -27.02 59.67 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.15 0.796 . . . . 36.06 113.15 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.38 -3.94 22.05 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 114.081 1.141 . . . . 35.07 114.081 -172.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -49.33 -37.74 25.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.14 1.904 . . . . 54.54 116.14 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.6 p -70.53 -16.15 62.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.952 1.834 . . . . 42.62 115.952 -177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -107.82 -9.03 15.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.62 1.168 . . . . 36.84 113.09 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 94.0 mt -113.69 150.29 33.48 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 114.844 1.424 . . . . 32.08 114.844 -172.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 t -151.78 123.22 7.82 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 104.87 -2.27 . . . . 30.31 104.87 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 97.0 mt -115.05 138.01 46.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.741 0 N-CA-C 107.591 -1.263 . . . . 20.0 107.591 175.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -146.13 172.53 13.29 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 120.247 -1.533 . . . . 20.69 109.649 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.14 156.66 42.86 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.277 -1.514 . . . . 21.44 110.467 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -120.02 105.45 11.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 104.199 -2.519 . . . . 34.02 104.199 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.56 -35.08 79.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 113.816 1.043 . . . . 32.19 113.816 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -73.61 -36.28 65.47 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 121.052 1.751 . . . . 41.62 112.266 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -77.91 -10.12 59.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.014 -1.054 . . . . 52.05 113.579 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.2 m 58.42 41.9 22.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 126.606 1.963 . . . . 28.15 113.283 -174.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -127.24 146.68 50.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.153 -1.385 . . . . 29.73 112.895 -177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.83 143.47 38.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 103.049 -2.945 . . . . 20.0 103.049 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -126.22 137.94 53.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.691 1.196 . . . . 24.85 110.612 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 tp -113.47 126.85 55.78 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 102.332 -3.21 . . . . 23.21 102.332 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -120.03 134.73 55.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 103.425 -2.806 . . . . 41.5 103.425 177.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 ttt -137.35 139.98 41.15 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 107.178 -1.416 . . . . 50.25 107.178 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -135.95 179.94 6.04 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 118.895 -2.378 . . . . 53.73 107.492 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m 52.83 52.57 13.68 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.784 1.278 . . . . 44.83 111.498 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -69.59 143.1 53.42 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.617 -1.629 . . . . 46.67 113.478 -173.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -129.12 160.57 32.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 103.408 -2.812 . . . . 62.46 103.408 -174.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.0 p -65.6 -21.59 66.59 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 123.514 2.87 . . . . 44.7 114.507 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.93 -1.09 18.22 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.752 -1.218 . . . . 45.96 113.749 175.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -84.49 -1.15 55.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.08 0.552 . . . . 28.97 111.591 170.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 65.8 m -67.29 121.21 15.2 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 106.848 -1.538 . . . . 26.97 106.848 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.69 173.86 4.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 122.678 1.228 . . . . 22.19 110.19 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -94.37 130.66 40.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.134 -2.173 . . . . 40.45 105.134 167.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -109.85 139.1 45.3 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 106.723 -1.584 . . . . 21.23 106.723 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -132.3 138.8 47.97 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.016 1.447 . . . . 23.96 109.506 -174.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . 23.5 p -103.62 147.95 26.6 Favored 'General case' 0 C--O 1.261 1.675 0 N-CA-C 105.217 -2.142 . . . . 20.0 105.217 163.511 56.237 159.301 77.816 103.745 2.015 102.654 103.457 177.628 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.28 30.62 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.898 -1.149 . . . . 20.0 107.898 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -74.14 133.75 42.8 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 122.851 1.31 . . . . 20.0 111.015 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.25 128.07 47.55 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.158 -1.423 . . . . 20.0 107.158 171.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -125.15 108.2 11.54 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 107.187 -1.412 . . . . 37.67 107.187 172.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 22.5 t0 44.59 58.1 4.08 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-O 125.104 2.383 . . . . 20.0 117.222 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 65.56 38.35 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 110.778 -2.919 . . . . 20.0 117.537 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.67 149.14 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 106.983 -1.488 . . . . 20.0 106.983 167.152 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 34.1 mt -99.7 98.52 9.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 104.804 -2.295 . . . . 20.0 104.804 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -89.83 -22.59 22.01 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 112.286 -2.234 . . . . 20.0 114.812 -171.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.81 134.94 37.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 121.909 2.14 . . . . 31.75 105.344 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -125.63 146.9 49.51 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 125.043 1.337 . . . . 20.0 109.378 -175.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.4 178.71 53.53 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 109.111 -1.596 . . . . 20.0 109.111 173.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -78.23 -20.72 51.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 114.896 1.443 . . . . 54.44 114.896 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.09 159.49 34.16 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.055 -0.818 . . . . 21.87 111.055 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.39 140.65 52.62 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 103.244 -2.873 . . . . 29.2 103.244 172.821 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 44.2 m -87.02 133.39 33.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 119.354 0.979 . . . . 30.22 110.298 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.11 130.42 52.52 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 120.134 -1.604 . . . . 32.24 108.808 174.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 64.2 m -112.0 131.67 55.27 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 105.781 -1.933 . . . . 32.77 105.781 172.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 30.6 t -99.81 119.82 48.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.908 -1.886 . . . . 47.22 105.908 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 14.6 p -88.7 -155.17 0.32 Allowed 'General case' 0 C--O 1.244 0.802 0 N-CA-C 115.56 1.689 . . . . 63.92 115.56 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 106.695 -1.594 . . . . 70.24 106.695 170.6 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 N--CA 1.439 -1.015 0 N-CA-C 108.256 -1.016 . . . . 40.1 108.256 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 92.0 t -107.71 123.3 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 N-CA-C 101.988 -3.338 . . . . 32.46 101.988 170.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -83.78 155.89 22.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.793 1.282 . . . . 29.5 113.301 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.76 157.73 28.89 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 104.779 -3.328 . . . . 27.03 104.779 168.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -59.62 -43.74 93.7 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 119.666 1.733 . . . . 24.83 114.224 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' C' ' 127' ' ' CYS . 97.4 m -67.19 -41.82 85.22 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 120.005 1.275 . . . . 25.03 114.163 -177.426 -65.823 -49.17 -69.761 102.783 2.41 101.222 -61.225 -60.655 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.47 -47.07 85.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.846 -1.073 . . . . 47.5 109.875 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.52 -47.18 87.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 120.336 1.426 . . . . 23.65 109.822 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.05 66.26 Favored 'General case' 0 C--O 1.244 0.797 0 O-C-N 119.338 -2.101 . . . . 22.68 114.713 177.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.48 99.32 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 121.622 -0.674 . . . . 22.13 110.919 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.19 81.72 Favored 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.247 -0.908 . . . . 23.74 111.857 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' MET . . . . . . . . . . . . . 20.7 mtt -69.06 -39.32 79.21 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 121.522 -0.736 . . . . 24.87 112.118 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.52 -43.48 89.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.472 -0.566 . . . . 45.46 109.472 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -57.76 -32.64 67.68 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.099 -1.001 . . . . 56.71 111.254 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -91.88 20.85 5.31 Favored 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 117.961 -2.962 . . . . 43.72 114.012 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.05 20.58 69.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 120.16 -1.587 . . . . 25.69 116.155 173.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -86.25 -13.68 46.06 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 121.483 2.641 . . . . 23.16 116.433 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -72.44 110.26 6.71 Favored 'General case' 0 N--CA 1.435 -1.193 0 O-C-N 120.429 -1.419 . . . . 26.78 108.906 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ASN . . . . . . . . . . . . . 61.4 t30 73.22 22.91 2.73 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 125.551 1.54 . . . . 20.26 111.666 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.28 123.87 22.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.146 -2.538 . . . . 23.75 104.146 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 50.83 38.21 19.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.07 1.748 . . . . 34.55 110.53 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.02 2.07 90.27 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 115.126 0.81 . . . . 20.0 115.126 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -89.16 120.42 30.54 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.637 1.219 . . . . 20.7 113.073 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 89.5 p -70.62 152.32 44.03 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 108.443 -0.947 . . . . 20.0 108.443 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -46.64 -39.24 10.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 117.618 2.451 . . . . 20.0 117.618 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.02 -29.99 66.07 Favored Glycine 0 CA--C 1.522 0.486 0 O-C-N 120.684 -1.26 . . . . 20.0 113.125 -178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -57.14 -46.82 82.37 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 120.669 -1.489 . . . . 20.0 112.815 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -67.48 -39.1 85.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.256 -1.338 . . . . 25.0 112.65 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.82 -36.16 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.919 -0.771 . . . . 20.0 108.919 175.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.88 -37.5 79.09 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 119.668 -1.895 . . . . 20.0 110.451 -179.322 -179.723 -90.28 -90.398 103.878 2.035 103.471 -82.345 -58.823 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.36 90.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.191 -1.568 . . . . 20.0 112.649 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.87 92.84 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.09 0.556 . . . . 25.31 110.632 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LYS . . . . . 0.595 ' HZ1' HD21 ' C' ' 37' ' ' ASN . 47.2 tptt -59.71 -51.29 70.4 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 120.673 -1.267 . . . . 27.91 108.7 178.671 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -79.27 -20.22 48.61 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.92 2.193 . . . . 27.09 116.92 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -86.41 -56.26 3.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.164 0.431 . . . . 33.96 112.164 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 82.0 p -114.2 -3.86 13.15 Favored 'General case' 0 N--CA 1.435 -1.185 0 O-C-N 120.565 -1.335 . . . . 27.04 114.233 -175.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' ASN . . . . . 0.595 HD21 ' HZ1' ' C' ' 33' ' ' LYS . 11.3 t-20 53.26 41.83 32.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 125.787 2.708 . . . . 36.58 110.517 -172.475 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 64.49 24.32 13.09 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 111.357 -2.656 . . . . 26.08 115.657 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -101.22 118.78 37.66 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.815 -1.178 . . . . 35.29 112.416 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -65.12 -23.32 67.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 119.782 -1.824 . . . . 37.88 113.328 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -96.16 10.38 37.93 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 119.223 -2.173 . . . . 53.58 112.175 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.36 142.04 58.01 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 120.375 1.443 . . . . 45.6 114.116 -177.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.2 m -141.6 140.18 33.27 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 116.915 -1.517 . . . . 49.91 108.797 -175.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -140.81 114.18 8.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 122.984 2.629 . . . . 64.54 111.487 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -74.07 135.55 43.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 116.767 -1.587 . . . . 84.09 109.788 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -111.85 174.89 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 123.186 2.721 . . . . 66.92 112.842 -173.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -84.99 63.45 8.12 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 119.11 -2.244 . . . . 80.77 109.569 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.51 155.48 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 101.579 -3.489 . . . . 75.22 101.579 -176.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.05 12.3 0.18 Allowed Glycine 0 CA--C 1.52 0.398 0 CA-C-O 115.304 -2.942 . . . . 69.17 116.572 -175.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -83.82 153.92 23.79 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 123.151 3.476 . . . . 58.44 110.863 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 91.3 m -134.39 141.95 47.02 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 106.035 -1.839 . . . . 47.55 106.035 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -102.94 135.31 44.85 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 106.538 -1.653 . . . . 44.45 106.538 -177.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.54 133.57 55.61 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 118.928 2.936 . . . . 48.13 118.928 -171.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.53 -165.78 53.02 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-O 123.412 1.562 . . . . 32.56 116.702 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 tp -51.74 -41.91 30.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 111.762 -2.219 . . . . 29.71 115.117 -178.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -107.78 20.84 18.27 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 119.816 -1.803 . . . . 29.4 111.714 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 43.63 59.32 3.12 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 117.94 2.57 . . . . 28.58 117.94 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 58.3 mt -83.74 129.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.833 1.301 . . . . 30.9 110.429 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -70.58 131.65 44.29 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 111.881 -2.418 . . . . 39.28 117.508 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 95.1 p -73.41 -14.68 61.31 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 116.795 2.146 . . . . 37.08 116.795 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -83.78 -27.92 28.51 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 116.756 -3.715 . . . . 51.79 111.135 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -114.6 -44.26 3.09 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 115.704 1.742 . . . . 35.19 115.704 -173.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -103.82 -38.33 7.08 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 116.984 2.216 . . . . 29.96 116.984 -169.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' CYS . . . . . 1.144 ' SG ' ' SG ' ' C' ' 80' ' ' CYS . 19.8 p -124.77 159.43 30.98 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.449 1.477 . . . . 38.31 108.826 174.871 54.751 87.422 91.949 102.945 2.45 104.439 -51.567 -63.098 2 2 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -101.06 124.1 46.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.001 0.741 . . . . 55.49 113.001 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -105.71 -2.61 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.776 0.658 . . . . 58.14 112.776 173.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.32 35.61 92.18 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 119.11 0.868 . . . . 60.76 112.261 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -152.88 -19.99 0.16 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.695 -0.854 . . . . 80.6 108.695 -170.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 35.7 m -94.3 127.42 44.54 Favored Pre-proline 0 N--CA 1.438 -1.026 0 O-C-N 120.172 -1.58 . . . . 56.6 108.837 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -60.93 121.35 9.55 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.093 2.529 . . . . 61.09 111.478 171.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.78 11.49 60.37 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 115.901 -2.611 . . . . 61.22 116.609 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.28 114.05 1.23 Allowed 'General case' 0 C--N 1.352 0.675 1 CA-C-N 124.54 4.17 . . . . 60.87 118.335 -178.835 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -81.1 -33.4 33.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 113.334 -1.757 . . . . 47.35 110.174 177.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' ASN . . . . . . . . . . . . . 50.5 t30 47.84 50.09 15.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 123.649 1.69 . . . . 43.38 115.49 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -22.65 66.83 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 116.619 2.081 . . . . 32.8 116.619 -178.525 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 28.0 m -84.77 -12.92 52.68 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 119.446 -2.034 . . . . 37.81 112.386 173.914 -79.024 173.214 83.741 101.347 2.028 105.438 46.562 -176.355 1 1 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 59.7 t30 60.82 59.78 2.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 125.521 1.763 . . . . 54.01 109.184 174.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 tp -150.51 142.87 15.93 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 107.782 -1.192 . . . . 44.01 107.782 -175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.47 135.94 29.93 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.191 2.594 . . . . 41.1 112.832 166.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' CYS . . . . . 1.144 ' SG ' ' SG ' ' C' ' 64' ' ' CYS . 73.4 m -54.63 -35.33 63.33 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 113.449 0.907 . . . . 41.94 113.449 -178.729 -63.098 -51.567 91.949 104.439 2.45 102.945 87.422 54.751 2 2 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -69.51 -16.18 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 119.443 -2.036 . . . . 53.02 113.413 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -28.08 63.76 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 119.747 -1.846 . . . . 44.68 109.38 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.57 -15.43 60.85 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 117.448 -1.263 . . . . 46.69 110.224 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.0 27.54 0.54 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 122.253 2.297 . . . . 44.02 112.761 177.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -87.05 162.59 17.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 117.914 -2.991 . . . . 45.53 113.159 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -79.88 -15.54 57.16 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.341 -0.849 . . . . 54.68 109.095 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -91.22 135.49 33.75 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 103.298 -2.852 . . . . 51.05 103.298 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 pt -96.62 -0.04 10.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 121.156 1.798 . . . . 37.12 114.938 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -44.64 -51.73 8.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 116.194 1.924 . . . . 40.0 116.194 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.04 92.19 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.989 -1.07 . . . . 29.92 109.968 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -61.44 -36.21 79.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 118.304 -0.855 . . . . 28.44 112.896 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -74.29 -42.8 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.225 0.92 . . . . 27.92 109.378 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.56 -41.65 97.69 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.016 -0.516 . . . . 40.19 112.374 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 94' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.8 -45.87 84.45 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 118.829 0.74 . . . . 26.61 109.278 173.52 -176.355 46.562 83.741 105.438 2.028 101.347 173.214 -79.024 1 1 . 1 . 001 ecloud orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.08 67.43 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.401 -2.062 . . . . 26.21 113.447 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 119.82 -1.8 . . . . 42.34 110.942 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -68.31 -41.1 81.36 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 119.388 0.994 . . . . 47.17 109.995 175.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 98' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.5 -42.6 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 O-C-N 123.815 0.697 . . . . 23.67 109.715 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.5 t -91.58 91.4 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 120.827 -1.171 . . . . 24.04 110.122 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 100' ' ' SER . . . . . . . . . . . . . 97.0 p -91.01 -15.5 29.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.089 -1.414 . . . . 35.48 111.185 -173.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -151.83 -178.23 6.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 120.669 -1.269 . . . . 29.81 109.983 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.04 5.18 3.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 125.018 1.294 . . . . 29.02 114.271 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -121.8 10.04 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 118.815 -2.58 . . . . 46.32 111.223 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.92 -17.23 78.37 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-O 117.511 -1.716 . . . . 23.18 115.913 -172.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' MET . . . . . . . . . . . . . 29.9 mtp -70.94 -8.48 53.38 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 121.791 2.795 . . . . 23.58 115.484 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.16 -13.95 32.47 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.208 -0.906 . . . . 38.43 112.205 170.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.06 -22.76 29.42 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 120.819 -1.176 . . . . 25.75 113.758 169.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -107.88 111.09 23.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.159 -1.793 . . . . 24.86 106.159 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.88 -44.09 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.547 0.739 . . . . 28.8 110.254 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.94 81.03 Favored 'General case' 0 CA--C 1.528 0.117 0 O-C-N 120.27 -1.519 . . . . 24.12 112.791 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -64.09 -45.43 88.72 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.795 1.634 . . . . 22.32 109.429 177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' ARG . . . . . . . . . . . . . 29.6 ttm105 -65.22 -42.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 122.009 0.909 . . . . 60.44 111.496 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.62 -25.54 23.51 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.066 1.506 . . . . 36.61 115.066 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -116.72 -17.69 10.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 117.124 2.268 . . . . 50.38 117.124 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' CYS . . . . . . . . . . . . . 75.6 m -110.43 -39.98 4.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 121.354 1.888 . . . . 20.0 113.099 179.714 -58.823 -82.345 -90.398 103.471 2.035 103.878 -90.28 -179.723 1 1 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.35 124.81 21.89 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.75 -0.833 . . . . 29.4 108.75 -175.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.25 -0.9 69.18 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 118.444 -1.198 . . . . 20.25 113.476 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 29.0 p -109.71 173.84 6.14 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 119.995 1.898 . . . . 20.0 106.334 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -81.36 78.17 8.16 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 123.145 1.45 . . . . 20.0 110.148 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 120' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.92 -30.15 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 113.85 1.056 . . . . 20.0 113.85 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -52.65 -29.27 25.41 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.718 -1.239 . . . . 20.0 112.435 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.52 45.68 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 120.731 1.605 . . . . 20.0 111.81 175.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 123' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -68.51 -17.92 64.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.905 1.076 . . . . 26.74 113.905 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.7 -8.05 11.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 121.941 2.155 . . . . 24.33 113.853 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -64.59 132.89 51.07 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 120.308 -1.495 . . . . 20.0 109.664 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.71 -1.57 85.53 Favored Glycine 0 CA--C 1.543 1.811 0 O-C-N 120.921 -1.112 . . . . 21.67 112.206 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 127' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' C' ' 6' ' ' CYS . 78.7 m -89.43 146.87 24.36 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 120.874 2.337 . . . . 24.18 106.533 175.516 -60.655 -61.225 -69.761 101.222 2.41 102.783 -49.17 -65.823 2 2 . 1 . 001 ecloud orig full ' C' C ' 128' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.47 105.43 12.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.691 -1.596 . . . . 75.84 106.691 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 CA--C 1.554 1.1 0 CA-C-N 110.788 -2.914 . . . . 66.29 105.669 178.236 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 273' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 277' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 291' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 294' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 296' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 101.513 -3.514 . . . . 38.08 101.513 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.8 132.08 32.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 105.278 -2.119 . . . . 26.56 105.278 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.85 147.71 12.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.995 -1.483 . . . . 21.26 106.995 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 mt -114.85 128.43 56.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 120.491 -1.381 . . . . 19.25 108.765 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -102.85 112.51 25.34 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 105.399 -2.075 . . . . 16.67 105.399 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.05 139.6 39.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 118.765 -0.636 . . . . 17.01 109.9 -177.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 p -150.33 156.06 37.02 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.612 -1.625 . . . . 20.92 106.612 175.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -78.42 170.98 68.36 Favored 'Cis proline' 0 N--CA 1.459 -0.555 0 C-N-CA 124.528 -1.03 . . . . 18.27 112.331 -2.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.94 77.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.196 -0.431 . . . . 18.11 111.708 174.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -143.88 153.84 42.74 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 126.239 1.816 . . . . 34.48 107.257 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mt -137.42 133.0 34.25 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 104.534 -2.395 . . . . 32.46 104.534 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -104.62 131.88 51.51 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 104.135 -2.543 . . . . 37.49 104.135 172.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.01 153.88 38.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 122.421 1.105 . . . . 25.54 110.983 -176.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 m -97.65 157.98 15.75 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 106.958 -1.497 . . . . 34.68 106.958 175.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.78 133.04 25.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-O 124.185 1.945 . . . . 24.33 107.327 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.36 -17.68 56.49 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-O 115.603 -2.776 . . . . 23.97 109.751 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.7 157.82 36.56 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 121.909 2.855 . . . . 44.72 113.848 173.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -104.56 138.61 40.66 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.071 -1.455 . . . . 27.56 107.071 170.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.12 162.78 38.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 119.943 -1.723 . . . . 19.99 108.437 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -135.99 136.6 40.47 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.73 -0.841 . . . . 29.75 108.73 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -120.28 139.33 47.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 105.001 -2.222 . . . . 22.55 105.001 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.6 p -122.17 149.74 43.21 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 122.819 2.554 . . . . 22.72 115.149 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.43 126.42 38.73 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.605 -1.628 . . . . 24.36 106.605 173.288 -87.826 -154.466 -89.731 103.852 1.995 104.557 -131.282 58.357 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -113.02 127.9 56.35 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.023 -1.103 . . . . 35.29 108.023 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.67 141.18 28.73 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.646 0.98 . . . . 17.01 113.646 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.9 p -72.05 -9.04 57.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 121.706 2.048 . . . . 24.64 112.257 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.95 160.97 29.12 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 107.909 -2.076 . . . . 18.04 107.909 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -61.49 120.77 11.16 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 117.459 0.63 . . . . 23.36 111.476 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.8 pt -103.11 5.17 10.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 121.591 -0.693 . . . . 17.75 112.563 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 55.62 39.88 30.96 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.839 1.792 . . . . 20.73 115.839 170.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.96 3.01 4.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 116.464 2.024 . . . . 38.99 116.464 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -86.15 76.23 9.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.728 2.058 . . . . 15.67 106.71 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.42 139.4 38.89 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.85 -1.537 . . . . 16.21 106.85 -177.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.16 152.98 47.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.51 -0.768 . . . . 15.63 111.505 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -121.42 140.44 52.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.014 -1.054 . . . . 14.81 108.949 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -126.04 149.12 49.09 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.391 1.076 . . . . 16.62 109.591 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -109.53 138.75 45.43 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.414 -1.328 . . . . 26.08 107.414 171.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -129.49 114.86 16.64 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.141 -1.429 . . . . 23.12 107.141 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HE2' ' O ' ' A' ' 81' ' ' GLU . 30.4 mmtp -79.81 154.23 28.59 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.857 0.863 . . . . 43.61 108.692 175.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.5 118.0 2.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.947 0.779 . . . . 64.32 111.126 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.99 24.3 75.85 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 112.978 -1.919 . . . . 40.07 115.19 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.85 169.89 11.11 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 121.865 2.833 . . . . 48.93 107.07 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m -70.8 152.42 95.12 Favored Pre-proline 0 C--O 1.243 0.747 0 N-CA-C 108.857 -0.794 . . . . 24.38 108.857 174.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.44 149.41 66.09 Favored 'Trans proline' 0 N--CA 1.439 -1.694 0 C-N-CA 122.68 2.253 . . . . 18.29 108.678 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -130.48 130.0 43.65 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.441 -1.318 . . . . 47.37 107.441 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.06 126.53 27.68 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.291 1.043 . . . . 17.28 112.973 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -103.14 -50.6 3.45 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 115.922 1.823 . . . . 21.12 115.922 171.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.33 137.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 107.166 -1.42 . . . . 15.53 107.166 -170.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -131.37 164.95 24.55 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 107.421 -1.325 . . . . 24.31 107.421 173.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.9 t80 40.59 53.37 3.07 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 126.347 1.859 . . . . 20.02 111.853 -175.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 m 65.5 -39.97 0.3 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.913 2.56 . . . . 15.78 117.913 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -131.53 -13.86 3.32 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 121.751 2.068 . . . . 22.45 113.965 -167.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -89.51 121.59 31.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.295 -1.503 . . . . 24.75 111.021 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.39 137.63 50.64 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 113.833 -1.53 . . . . 25.64 111.494 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.48 160.3 31.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 107.445 -1.317 . . . . 26.38 107.445 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.24 127.24 31.13 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.978 1.371 . . . . 50.2 111.613 178.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.52 -7.88 80.68 Favored Glycine 0 N--CA 1.441 -1.015 0 CA-C-O 116.064 -2.52 . . . . 36.41 112.526 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.1 t -77.62 131.04 72.03 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 123.285 3.542 . . . . 29.73 107.695 179.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.47 150.33 88.81 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.264 2.643 . . . . 27.13 113.234 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.0 p -69.77 -6.82 34.7 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 114.649 1.352 . . . . 38.54 114.649 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -68.88 -13.95 62.74 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 118.942 -1.103 . . . . 26.13 111.131 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -88.05 128.11 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 120.638 1.563 . . . . 24.53 110.536 173.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.4 p -137.61 140.95 41.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.092 -1.63 . . . . 24.64 111.259 172.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.2 151.2 18.11 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 109.221 -1.552 . . . . 20.62 109.221 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -150.18 172.09 15.87 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.337 -1.357 . . . . 23.15 107.337 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.01 166.97 11.43 Favored Glycine 0 C--O 1.248 1.007 0 N-CA-C 110.492 -1.043 . . . . 28.22 110.492 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -162.25 158.25 24.08 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 106.221 -1.77 . . . . 41.97 106.221 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.1 -99.05 0.15 Allowed Glycine 0 C--O 1.24 0.52 0 C-N-CA 120.525 -0.845 . . . . 28.45 112.266 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.4 p -124.47 -11.21 7.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 118.001 2.593 . . . . 30.93 118.001 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.72 135.93 53.4 Favored 'General case' 0 C--O 1.249 1.071 1 CA-C-N 126.624 4.284 . . . . 49.29 107.451 173.42 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -135.64 147.3 48.56 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.205 -0.907 . . . . 21.04 109.925 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.1 m -134.11 147.09 50.79 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 114.607 1.336 . . . . 28.48 114.607 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.9 tp -113.02 127.41 56.22 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 104.285 -2.487 . . . . 19.97 104.285 170.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -115.48 139.37 50.11 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.577 -1.638 . . . . 46.47 106.577 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.5 mt -123.01 112.74 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 103.276 -2.861 . . . . 23.2 103.276 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.89 133.43 35.68 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 117.642 -1.17 . . . . 43.74 111.669 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.7 m 50.88 61.64 3.13 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 124.429 2.062 . . . . 37.3 112.02 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.91 148.59 49.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 124.336 2.017 . . . . 29.81 113.557 -175.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -115.73 161.18 31.83 Favored Pre-proline 0 C--N 1.312 -1.043 0 CA-C-O 116.063 -1.922 . . . . 37.29 108.493 -167.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.8 -39.83 31.46 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 124.882 3.721 . . . . 20.67 115.033 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . 0.526 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 13.8 pm0 -79.19 2.13 22.13 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 118.889 -2.382 . . . . 40.74 115.028 -179.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -87.26 -11.01 50.94 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.515 1.507 . . . . 21.79 112.342 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.16 138.44 49.6 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 119.495 -2.003 . . . . 26.79 108.968 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.62 -165.09 32.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 107.988 -2.045 . . . . 20.72 107.988 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 m -103.42 154.34 19.53 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 123.564 1.65 . . . . 22.39 109.117 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -133.3 140.95 47.73 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 113.644 -1.616 . . . . 18.46 106.797 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -135.77 143.6 45.35 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.317 1.047 . . . . 19.98 110.836 -175.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.62 153.9 24.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 105.199 -2.149 . . . . 16.79 105.199 172.785 58.357 -131.282 -89.731 104.557 1.995 103.852 -154.466 -87.826 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -142.66 139.84 31.37 Favored 'General case' 0 C--O 1.247 0.96 0 N-CA-C 108.712 -0.847 . . . . 19.4 108.712 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -102.74 158.16 16.45 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 120.226 1.375 . . . . 15.43 108.323 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.48 38.29 3.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 122.937 0.495 . . . . 16.35 112.059 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -100.04 111.68 23.98 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 104.373 -2.454 . . . . 16.81 104.373 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t 48.79 -150.76 0.16 Allowed 'General case' 0 N--CA 1.44 -0.935 0 O-C-N 124.421 1.076 . . . . 17.58 112.109 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.9 p -135.09 156.84 77.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 120.398 -1.439 . . . . 24.31 108.167 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -70.24 148.38 87.69 Favored 'Cis proline' 0 N--CA 1.454 -0.81 0 CA-C-N 124.279 2.564 . . . . 20.09 113.448 -4.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -81.18 150.31 28.72 Favored 'General case' 0 C--N 1.338 0.074 0 N-CA-C 108.486 -0.931 . . . . 16.51 108.486 172.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.0 p -136.21 165.58 25.42 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 119.99 -1.694 . . . . 14.77 107.532 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -114.16 154.86 27.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.262 1.601 . . . . 14.2 109.963 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.53 165.82 54.74 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 107.147 -2.381 . . . . 16.17 107.147 170.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.2 -8.48 83.43 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 119.785 1.792 . . . . 16.64 114.037 -176.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.07 145.48 18.62 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 122.174 2.987 . . . . 18.02 113.25 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 93.3 m -130.01 125.08 34.46 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.745 -1.946 . . . . 17.86 105.745 175.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -90.54 117.14 28.99 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.188 0.518 . . . . 54.9 109.626 173.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -97.66 117.48 32.05 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.193 -2.151 . . . . 24.05 105.193 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.28 156.0 44.69 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.919 0.866 . . . . 52.67 112.999 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.46 136.19 26.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 112.474 -2.148 . . . . 45.1 112.684 -176.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt . . . . . 0 N--CA 1.441 -0.906 1 N-CA-C 99.398 -4.297 . . . . 59.01 99.398 172.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.45 -0.466 1 N-CA-C 99.254 -4.35 . . . . 69.55 99.254 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 75.2 t -87.4 127.52 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 121.52 1.964 . . . . 33.03 105.852 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -129.6 137.08 50.5 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.42 1.088 . . . . 51.19 110.311 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.93 135.34 48.23 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 104.403 -2.443 . . . . 18.99 104.403 169.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -138.64 122.7 17.93 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.883 0.873 . . . . 40.55 111.492 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 21' ' ' THR . 45.1 mp0 -91.66 148.15 22.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 123.503 0.721 . . . . 24.58 110.178 -178.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.9 m -140.39 135.14 31.79 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 103.399 -2.815 . . . . 34.35 103.399 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.91 -179.35 27.48 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 110.699 -0.96 . . . . 31.35 110.699 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -76.09 -17.32 17.32 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.203 3.269 . . . . 38.03 116.579 -174.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -53.6 4.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 119.043 -2.286 . . . . 36.7 114.833 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 tp -138.13 137.48 37.72 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 119.291 -2.299 . . . . 40.92 105.799 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -145.18 149.49 16.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 122.598 1.189 . . . . 43.84 111.616 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.67 151.06 40.71 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 105.847 -1.909 . . . . 56.28 105.847 175.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.89 -24.58 0.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 1 C-N-CA 125.949 4.432 . . . . 69.08 118.185 169.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -76.3 -6.36 51.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.777 1.028 . . . . 75.68 113.777 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.66 162.41 13.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 119.912 -1.743 . . . . 69.99 109.198 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.3 m -100.58 140.93 34.14 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 104.096 -2.557 . . . . 65.4 104.096 171.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -88.4 134.56 33.8 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 120.476 -1.39 . . . . 54.59 110.551 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -128.21 129.49 46.52 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.117 -2.179 . . . . 39.95 105.117 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -124.78 141.17 45.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 104.832 -2.284 . . . . 26.49 104.832 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' B' ' 6' ' ' GLU . 47.3 m -107.95 140.74 40.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.425 0.631 . . . . 21.49 110.68 177.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 40.7 t -116.05 113.89 23.81 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.042 -1.466 . . . . 18.98 107.042 169.471 177.628 103.457 77.816 102.654 2.015 103.745 159.301 56.237 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -102.85 126.81 50.14 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 104.001 -2.592 . . . . 18.57 104.001 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.15 160.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 121.403 -0.811 . . . . 17.36 112.284 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -153.72 154.12 33.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.062 1.411 . . . . 27.74 107.912 173.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.38 -4.4 66.94 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 116.074 -2.514 . . . . 23.03 109.541 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -155.04 161.77 41.24 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 122.926 3.363 . . . . 21.31 109.662 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 t -91.77 142.22 27.83 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.659 -1.275 . . . . 30.58 110.895 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -74.14 -13.02 60.75 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 119.999 -0.68 . . . . 22.97 112.377 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 63.3 p -74.75 -26.05 59.51 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 120.225 -1.547 . . . . 26.72 110.848 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.96 -2.8 59.33 Favored Glycine 0 C--N 1.344 1.013 0 O-C-N 118.125 -2.86 . . . . 20.88 115.134 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -142.36 154.15 44.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.166 1.983 . . . . 24.53 112.08 -174.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.84 159.57 24.72 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 118.708 -1.711 . . . . 15.72 109.271 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.12 129.65 72.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 119.816 -1.991 . . . . 16.22 105.805 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.59 157.46 18.04 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.486 -1.301 . . . . 15.61 107.486 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -123.98 132.55 53.72 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 103.929 -2.619 . . . . 18.58 103.929 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -135.68 139.62 45.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 114.093 -1.412 . . . . 17.29 109.125 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -124.4 163.73 21.15 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 118.91 -2.368 . . . . 24.47 111.141 173.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -139.76 106.94 6.96 Favored Pre-proline 0 C--O 1.242 0.697 0 O-C-N 120.736 -1.228 . . . . 21.0 108.444 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -62.23 155.69 55.21 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 124.396 3.397 . . . . 25.08 109.109 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -49.3 120.65 5.91 Favored 'Trans proline' 0 CA--C 1.51 -0.678 0 C-N-CA 124.531 3.487 . . . . 33.24 110.689 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.02 29.83 59.77 Favored Glycine 0 CA--C 1.523 0.546 0 O-C-N 125.734 1.896 . . . . 34.06 113.581 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -119.28 -178.7 3.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.134 0.967 . . . . 53.25 110.049 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.35 -179.67 45.22 Favored Glycine 0 N--CA 1.443 -0.855 0 O-C-N 121.568 -0.707 . . . . 20.86 111.615 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.91 146.6 30.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 121.314 -1.109 . . . . 17.81 111.482 -175.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -130.6 125.53 34.36 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 117.394 -1.289 . . . . 34.68 108.302 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -78.58 131.65 36.83 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.364 0.984 . . . . 18.06 110.752 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.0 -36.96 7.99 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 121.19 -0.944 . . . . 18.9 112.928 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 159.03 -176.18 35.89 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 119.307 0.958 . . . . 14.15 111.655 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.5 ptm -156.53 166.34 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.691 0.758 . . . . 16.17 112.46 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 tt -135.76 124.36 38.49 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 N-CA-C 102.976 -2.972 . . . . 15.19 102.976 172.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -73.69 164.83 26.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 109.165 -3.652 . . . . 15.58 110.903 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.86 -37.2 57.12 Favored Glycine 0 N--CA 1.463 0.444 0 C-N-CA 124.431 1.015 . . . . 18.78 112.263 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -79.74 1.45 26.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 116.735 2.124 . . . . 21.88 116.735 176.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.88 -11.04 70.08 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 119.506 -1.996 . . . . 18.03 116.437 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -69.27 147.0 51.82 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 120.119 -1.813 . . . . 18.31 109.474 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -119.97 152.49 37.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.442 0.297 . . . . 17.94 111.57 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.97 142.12 32.95 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 105.207 -2.146 . . . . 22.9 105.207 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -130.45 155.25 46.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.304 1.05 . . . . 19.4 113.371 -171.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -55.85 132.07 48.57 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 105.929 -1.878 . . . . 21.74 105.929 171.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.9 m -55.58 -44.57 77.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.697 1.369 . . . . 35.2 114.697 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.11 -27.02 59.67 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.15 0.796 . . . . 36.06 113.15 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.38 -3.94 22.05 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 114.081 1.141 . . . . 35.07 114.081 -172.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -49.33 -37.74 25.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.14 1.904 . . . . 54.54 116.14 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.6 p -70.53 -16.15 62.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.952 1.834 . . . . 42.62 115.952 -177.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -107.82 -9.03 15.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.62 1.168 . . . . 36.84 113.09 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LEU . . . . . 0.467 HD22 HD11 ' B' ' 80' ' ' LEU . 94.0 mt -113.69 150.29 33.48 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 114.844 1.424 . . . . 32.08 114.844 -172.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 t -151.78 123.22 7.82 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 104.87 -2.27 . . . . 30.31 104.87 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 97.0 mt -115.05 138.01 46.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.741 0 N-CA-C 107.591 -1.263 . . . . 18.79 107.591 175.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -146.13 172.53 13.29 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 120.247 -1.533 . . . . 20.69 109.649 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.14 156.66 42.86 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.277 -1.514 . . . . 21.44 110.467 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -120.02 105.45 11.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 104.199 -2.519 . . . . 34.02 104.199 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.56 -35.08 79.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 113.816 1.043 . . . . 32.19 113.816 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -73.61 -36.28 65.47 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 121.052 1.751 . . . . 41.62 112.266 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -77.91 -10.12 59.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.014 -1.054 . . . . 52.05 113.579 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.2 m 58.42 41.9 22.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 126.606 1.963 . . . . 28.15 113.283 -174.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -127.24 146.68 50.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.153 -1.385 . . . . 29.73 112.895 -177.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.83 143.47 38.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 103.049 -2.945 . . . . 19.2 103.049 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -126.22 137.94 53.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.691 1.196 . . . . 24.85 110.612 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LEU . . . . . 0.467 HD11 HD22 ' B' ' 67' ' ' LEU . 40.8 tp -113.47 126.85 55.78 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 102.332 -3.21 . . . . 23.21 102.332 172.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -120.03 134.73 55.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 103.425 -2.806 . . . . 41.5 103.425 177.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 ttt -137.35 139.98 41.15 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 107.178 -1.416 . . . . 50.25 107.178 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -135.95 179.94 6.04 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 118.895 -2.378 . . . . 53.73 107.492 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m 52.83 52.57 13.68 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.784 1.278 . . . . 44.83 111.498 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -69.59 143.1 53.42 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.617 -1.629 . . . . 46.67 113.478 -173.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -129.12 160.57 32.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 103.408 -2.812 . . . . 62.46 103.408 -174.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' B' ' 114' ' ' VAL . 8.0 p -65.6 -21.59 66.59 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 123.514 2.87 . . . . 44.7 114.507 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.93 -1.09 18.22 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.752 -1.218 . . . . 45.96 113.749 175.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ASP . . . . . 0.411 ' HB2' HG21 ' B' ' 114' ' ' VAL . 85.1 m-20 -84.49 -1.15 55.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.08 0.552 . . . . 28.97 111.591 170.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 65.8 m -67.29 121.21 15.2 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 106.848 -1.538 . . . . 26.97 106.848 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.69 173.86 4.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 122.678 1.228 . . . . 22.19 110.19 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -94.37 130.66 40.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.134 -2.173 . . . . 40.45 105.134 167.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -109.85 139.1 45.3 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 106.723 -1.584 . . . . 21.23 106.723 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -132.3 138.8 47.97 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.016 1.447 . . . . 23.96 109.506 -174.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . 23.5 p -103.62 147.95 26.6 Favored 'General case' 0 C--O 1.261 1.675 0 N-CA-C 105.217 -2.142 . . . . 16.65 105.217 163.511 56.237 159.301 77.816 103.745 2.015 102.654 103.457 177.628 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.28 30.62 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.898 -1.149 . . . . 14.36 107.898 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 103' ' ' LEU . 38.0 ttp180 -74.14 133.75 42.8 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 122.851 1.31 . . . . 16.95 111.015 174.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.25 128.07 47.55 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.158 -1.423 . . . . 17.2 107.158 171.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -125.15 108.2 11.54 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 107.187 -1.412 . . . . 37.67 107.187 172.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 22.5 t0 44.59 58.1 4.08 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-O 125.104 2.383 . . . . 14.49 117.222 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 65.56 38.35 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 110.778 -2.919 . . . . 15.75 117.537 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.67 149.14 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 106.983 -1.488 . . . . 19.28 106.983 167.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' B' ' 97' ' ' ARG . 34.1 mt -99.7 98.52 9.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 104.804 -2.295 . . . . 15.31 104.804 -179.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -89.83 -22.59 22.01 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 112.286 -2.234 . . . . 17.63 114.812 -171.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.81 134.94 37.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 121.909 2.14 . . . . 31.75 105.344 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -125.63 146.9 49.51 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 125.043 1.337 . . . . 18.35 109.378 -175.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.4 178.71 53.53 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 109.111 -1.596 . . . . 19.56 109.111 173.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -78.23 -20.72 51.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 114.896 1.443 . . . . 54.44 114.896 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.09 159.49 34.16 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.055 -0.818 . . . . 21.87 111.055 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.39 140.65 52.62 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 103.244 -2.873 . . . . 29.2 103.244 172.821 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 44.2 m -87.02 133.39 33.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 119.354 0.979 . . . . 30.22 110.298 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.11 130.42 52.52 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 120.134 -1.604 . . . . 32.24 108.808 174.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 64.2 m -112.0 131.67 55.27 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 105.781 -1.933 . . . . 32.77 105.781 172.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 87' ' ' THR . 30.6 t -99.81 119.82 48.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.908 -1.886 . . . . 47.22 105.908 175.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 14.6 p -88.7 -155.17 0.32 Allowed 'General case' 0 C--O 1.244 0.802 0 N-CA-C 115.56 1.689 . . . . 63.92 115.56 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 106.695 -1.594 . . . . 70.24 106.695 170.6 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 N--CA 1.439 -1.015 0 N-CA-C 108.256 -1.016 . . . . 40.1 108.256 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 92.0 t -107.71 123.3 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 N-CA-C 101.988 -3.338 . . . . 32.46 101.988 170.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -83.78 155.89 22.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.793 1.282 . . . . 29.5 113.301 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.76 157.73 28.89 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 104.779 -3.328 . . . . 27.03 104.779 168.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -59.62 -43.74 93.7 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 119.666 1.733 . . . . 24.83 114.224 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 127' ' ' CYS . 97.4 m -67.19 -41.82 85.22 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 120.005 1.275 . . . . 25.03 114.163 -177.426 -65.823 -49.17 -69.761 102.783 2.41 101.222 -61.225 -60.655 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.47 -47.07 85.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.846 -1.073 . . . . 47.5 109.875 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.52 -47.18 87.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 120.336 1.426 . . . . 23.65 109.822 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.05 66.26 Favored 'General case' 0 C--O 1.244 0.797 0 O-C-N 119.338 -2.101 . . . . 22.68 114.713 177.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.48 99.32 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 121.622 -0.674 . . . . 22.13 110.919 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.19 81.72 Favored 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.247 -0.908 . . . . 23.74 111.857 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' MET . . . . . . . . . . . . . 20.7 mtt -69.06 -39.32 79.21 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 121.522 -0.736 . . . . 24.87 112.118 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.52 -43.48 89.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.472 -0.566 . . . . 45.46 109.472 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -57.76 -32.64 67.68 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.099 -1.001 . . . . 56.71 111.254 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -91.88 20.85 5.31 Favored 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 117.961 -2.962 . . . . 43.72 114.012 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.05 20.58 69.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 120.16 -1.587 . . . . 25.69 116.155 173.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -86.25 -13.68 46.06 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 121.483 2.641 . . . . 23.16 116.433 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -72.44 110.26 6.71 Favored 'General case' 0 N--CA 1.435 -1.193 0 O-C-N 120.429 -1.419 . . . . 26.78 108.906 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ASN . . . . . . . . . . . . . 61.4 t30 73.22 22.91 2.73 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 125.551 1.54 . . . . 20.26 111.666 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.28 123.87 22.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.146 -2.538 . . . . 23.75 104.146 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 50.83 38.21 19.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.07 1.748 . . . . 34.55 110.53 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.02 2.07 90.27 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 115.126 0.81 . . . . 17.12 115.126 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -89.16 120.42 30.54 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.637 1.219 . . . . 20.7 113.073 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' C' ' 200' ' ' HOH . 89.5 p -70.62 152.32 44.03 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 108.443 -0.947 . . . . 15.75 108.443 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -46.64 -39.24 10.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 117.618 2.451 . . . . 18.5 117.618 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.02 -29.99 66.07 Favored Glycine 0 CA--C 1.522 0.486 0 O-C-N 120.684 -1.26 . . . . 15.43 113.125 -178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -57.14 -46.82 82.37 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 120.669 -1.489 . . . . 14.54 112.815 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -67.48 -39.1 85.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.256 -1.338 . . . . 25.0 112.65 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.82 -36.16 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.919 -0.771 . . . . 19.85 108.919 175.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.88 -37.5 79.09 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 119.668 -1.895 . . . . 17.36 110.451 -179.322 -179.723 -90.28 -90.398 103.878 2.035 103.471 -82.345 -58.823 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.36 90.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.191 -1.568 . . . . 18.64 112.649 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.87 92.84 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.09 0.556 . . . . 25.31 110.632 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.71 -51.29 70.4 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 120.673 -1.267 . . . . 27.91 108.7 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -79.27 -20.22 48.61 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.92 2.193 . . . . 27.09 116.92 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -86.41 -56.26 3.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.164 0.431 . . . . 33.96 112.164 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 82.0 p -114.2 -3.86 13.15 Favored 'General case' 0 N--CA 1.435 -1.185 0 O-C-N 120.565 -1.335 . . . . 27.04 114.233 -175.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 35.8 t30 53.26 41.83 32.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 125.787 2.708 . . . . 36.58 110.517 -172.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 64.49 24.32 13.09 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 111.357 -2.656 . . . . 26.08 115.657 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -101.22 118.78 37.66 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.815 -1.178 . . . . 35.29 112.416 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -65.12 -23.32 67.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 119.782 -1.824 . . . . 37.88 113.328 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -96.16 10.38 37.93 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 119.223 -2.173 . . . . 53.58 112.175 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.36 142.04 58.01 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 120.375 1.443 . . . . 45.6 114.116 -177.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.2 m -141.6 140.18 33.27 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 116.915 -1.517 . . . . 49.91 108.797 -175.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' C' ' 51' ' ' THR . 42.9 t30 -140.81 114.18 8.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 122.984 2.629 . . . . 64.54 111.487 176.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -74.07 135.55 43.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 116.767 -1.587 . . . . 84.09 109.788 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -111.85 174.89 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 123.186 2.721 . . . . 66.92 112.842 -173.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -84.99 63.45 8.12 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 119.11 -2.244 . . . . 80.77 109.569 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ASP . . . . . 0.536 ' HB2' HH12 ' C' ' 61' ' ' ARG . 0.4 OUTLIER 169.51 155.48 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 101.579 -3.489 . . . . 75.22 101.579 -176.358 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.05 12.3 0.18 Allowed Glycine 0 CA--C 1.52 0.398 0 CA-C-O 115.304 -2.942 . . . . 69.17 116.572 -175.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -83.82 153.92 23.79 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 123.151 3.476 . . . . 58.44 110.863 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' C' ' 44' ' ' ASN . 91.3 m -134.39 141.95 47.02 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 106.035 -1.839 . . . . 47.55 106.035 174.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -102.94 135.31 44.85 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 106.538 -1.653 . . . . 44.45 106.538 -177.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.54 133.57 55.61 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 118.928 2.936 . . . . 48.13 118.928 -171.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.53 -165.78 53.02 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-O 123.412 1.562 . . . . 32.56 116.702 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 tp -51.74 -41.91 30.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 111.762 -2.219 . . . . 29.71 115.117 -178.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -107.78 20.84 18.27 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 119.816 -1.803 . . . . 29.4 111.714 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 43.63 59.32 3.12 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 117.94 2.57 . . . . 28.58 117.94 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 58.3 mt -83.74 129.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.833 1.301 . . . . 30.9 110.429 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -70.58 131.65 44.29 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 111.881 -2.418 . . . . 39.28 117.508 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 95.1 p -73.41 -14.68 61.31 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 116.795 2.146 . . . . 37.08 116.795 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' ARG . . . . . 0.536 HH12 ' HB2' ' C' ' 48' ' ' ASP . 28.9 ttm180 -83.78 -27.92 28.51 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 116.756 -3.715 . . . . 51.79 111.135 175.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 62' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -114.6 -44.26 3.09 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 115.704 1.742 . . . . 35.19 115.704 -173.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -103.82 -38.33 7.08 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 116.984 2.216 . . . . 29.96 116.984 -169.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' CYS . . . . . 0.515 ' SG ' ' SG ' ' C' ' 80' ' ' CYS . 19.8 p -124.77 159.43 30.98 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.449 1.477 . . . . 38.31 108.826 174.871 54.751 87.422 91.949 102.945 2.45 104.439 -51.567 -63.098 2 2 . 1 . 001 ecloud build full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -101.06 124.1 46.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.001 0.741 . . . . 55.49 113.001 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -105.71 -2.61 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.776 0.658 . . . . 58.14 112.776 173.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.32 35.61 92.18 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 119.11 0.868 . . . . 60.76 112.261 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -152.88 -19.99 0.16 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.695 -0.854 . . . . 80.6 108.695 -170.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 69' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' C' ' 70' ' ' PRO . 35.7 m -94.3 127.42 44.54 Favored Pre-proline 0 N--CA 1.438 -1.026 0 O-C-N 120.172 -1.58 . . . . 56.6 108.837 -178.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 70' ' ' PRO . . . . . 0.533 ' HG2' HH21 ' C' ' 61' ' ' ARG . 52.8 Cg_endo -60.93 121.35 9.55 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.093 2.529 . . . . 61.09 111.478 171.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.78 11.49 60.37 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 115.901 -2.611 . . . . 61.22 116.609 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.28 114.05 1.23 Allowed 'General case' 0 C--N 1.352 0.675 1 CA-C-N 124.54 4.17 . . . . 60.87 118.335 -178.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -81.1 -33.4 33.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 113.334 -1.757 . . . . 47.35 110.174 177.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' ASN . . . . . . . . . . . . . 50.5 t30 47.84 50.09 15.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 123.649 1.69 . . . . 43.38 115.49 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -22.65 66.83 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 116.619 2.081 . . . . 32.8 116.619 -178.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 28.0 m -84.77 -12.92 52.68 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 119.446 -2.034 . . . . 37.81 112.386 173.914 -79.024 173.214 83.741 101.347 2.028 105.438 46.562 -176.355 1 1 . 1 . 001 ecloud build full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 59.7 t30 60.82 59.78 2.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 125.521 1.763 . . . . 54.01 109.184 174.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 tp -150.51 142.87 15.93 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 107.782 -1.192 . . . . 44.01 107.782 -175.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.47 135.94 29.93 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.191 2.594 . . . . 41.1 112.832 166.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 80' ' ' CYS . . . . . 0.515 ' SG ' ' SG ' ' C' ' 64' ' ' CYS . 73.4 m -54.63 -35.33 63.33 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 113.449 0.907 . . . . 41.94 113.449 -178.729 -63.098 -51.567 91.949 104.439 2.45 102.945 87.422 54.751 2 2 . 1 . 001 ecloud build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -69.51 -16.18 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 119.443 -2.036 . . . . 53.02 113.413 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -28.08 63.76 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 119.747 -1.846 . . . . 44.68 109.38 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.57 -15.43 60.85 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 117.448 -1.263 . . . . 46.69 110.224 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.0 27.54 0.54 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 122.253 2.297 . . . . 44.02 112.761 177.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -87.05 162.59 17.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 117.914 -2.991 . . . . 45.53 113.159 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -79.88 -15.54 57.16 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.341 -0.849 . . . . 54.68 109.095 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -91.22 135.49 33.75 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 103.298 -2.852 . . . . 51.05 103.298 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 pt -96.62 -0.04 10.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 121.156 1.798 . . . . 37.12 114.938 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -44.64 -51.73 8.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 116.194 1.924 . . . . 40.0 116.194 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.04 92.19 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.989 -1.07 . . . . 29.92 109.968 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -61.44 -36.21 79.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 118.304 -0.855 . . . . 28.44 112.896 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -74.29 -42.8 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.225 0.92 . . . . 27.92 109.378 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.56 -41.65 97.69 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.016 -0.516 . . . . 40.19 112.374 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 94' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.8 -45.87 84.45 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 118.829 0.74 . . . . 26.61 109.278 173.52 -176.355 46.562 83.741 105.438 2.028 101.347 173.214 -79.024 1 1 . 1 . 001 ecloud build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.08 67.43 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.401 -2.062 . . . . 26.21 113.447 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 119.82 -1.8 . . . . 42.34 110.942 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -68.31 -41.1 81.36 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 119.388 0.994 . . . . 47.17 109.995 175.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 98' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.5 -42.6 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 O-C-N 123.815 0.697 . . . . 23.67 109.715 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.5 t -91.58 91.4 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 120.827 -1.171 . . . . 24.04 110.122 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 100' ' ' SER . . . . . . . . . . . . . 97.0 p -91.01 -15.5 29.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.089 -1.414 . . . . 35.48 111.185 -173.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -151.83 -178.23 6.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 120.669 -1.269 . . . . 29.81 109.983 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.04 5.18 3.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 125.018 1.294 . . . . 29.02 114.271 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -121.8 10.04 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 118.815 -2.58 . . . . 46.32 111.223 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.92 -17.23 78.37 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-O 117.511 -1.716 . . . . 23.18 115.913 -172.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 105' ' ' MET . . . . . . . . . . . . . 29.9 mtp -70.94 -8.48 53.38 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 121.791 2.795 . . . . 23.58 115.484 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 106' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.16 -13.95 32.47 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.208 -0.906 . . . . 38.43 112.205 170.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.06 -22.76 29.42 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 120.819 -1.176 . . . . 25.75 113.758 169.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -107.88 111.09 23.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.159 -1.793 . . . . 24.86 106.159 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.88 -44.09 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.547 0.739 . . . . 28.8 110.254 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.94 81.03 Favored 'General case' 0 CA--C 1.528 0.117 0 O-C-N 120.27 -1.519 . . . . 24.12 112.791 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 111' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -64.09 -45.43 88.72 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.795 1.634 . . . . 22.32 109.429 177.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 112' ' ' ARG . . . . . . . . . . . . . 29.6 ttm105 -65.22 -42.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 122.009 0.909 . . . . 60.44 111.496 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 113' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.62 -25.54 23.51 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.066 1.506 . . . . 36.61 115.066 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -116.72 -17.69 10.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 117.124 2.268 . . . . 50.38 117.124 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 115' ' ' CYS . . . . . . . . . . . . . 75.6 m -110.43 -39.98 4.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 121.354 1.888 . . . . 18.57 113.099 179.714 -58.823 -82.345 -90.398 103.471 2.035 103.878 -90.28 -179.723 1 1 . 1 . 001 ecloud build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.35 124.81 21.89 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.75 -0.833 . . . . 29.4 108.75 -175.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.25 -0.9 69.18 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 118.444 -1.198 . . . . 20.25 113.476 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 29.0 p -109.71 173.84 6.14 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 119.995 1.898 . . . . 14.99 106.334 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -81.36 78.17 8.16 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 123.145 1.45 . . . . 19.73 110.148 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 120' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.92 -30.15 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 113.85 1.056 . . . . 14.75 113.85 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -52.65 -29.27 25.41 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.718 -1.239 . . . . 14.93 112.435 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.52 45.68 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 120.731 1.605 . . . . 18.71 111.81 175.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 123' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -68.51 -17.92 64.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.905 1.076 . . . . 26.74 113.905 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.7 -8.05 11.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 121.941 2.155 . . . . 24.33 113.853 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -64.59 132.89 51.07 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 120.308 -1.495 . . . . 17.07 109.664 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.71 -1.57 85.53 Favored Glycine 0 CA--C 1.543 1.811 0 O-C-N 120.921 -1.112 . . . . 21.67 112.206 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 127' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 6' ' ' CYS . 78.7 m -89.43 146.87 24.36 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 120.874 2.337 . . . . 24.18 106.533 175.516 -60.655 -61.225 -69.761 101.222 2.41 102.783 -49.17 -65.823 2 2 . 1 . 001 ecloud build full ' C' C ' 128' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.47 105.43 12.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.691 -1.596 . . . . 75.84 106.691 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 CA--C 1.554 1.1 0 CA-C-N 110.788 -2.914 . . . . 66.29 105.669 178.236 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 200' ' ' HOH . . . . . 0.462 ' O ' ' HA ' ' C' ' 24' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 273' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 277' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 291' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 294' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 296' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 101.513 -3.514 . . . . 38.08 101.513 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.8 132.08 32.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 105.278 -2.119 . . . . 26.56 105.278 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.85 147.71 12.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.995 -1.483 . . . . 21.26 106.995 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 mt -114.85 128.43 56.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 120.491 -1.381 . . . . 19.25 108.765 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 m -102.85 112.51 25.34 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 105.399 -2.075 . . . . 16.67 105.399 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.05 139.6 39.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 118.765 -0.636 . . . . 17.01 109.9 -177.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.0 p -150.33 156.06 37.02 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.612 -1.625 . . . . 20.92 106.612 175.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -78.42 170.98 68.36 Favored 'Cis proline' 0 N--CA 1.459 -0.555 0 C-N-CA 124.528 -1.03 . . . . 18.27 112.331 -2.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.94 77.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 119.196 -0.431 . . . . 18.11 111.708 174.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 m -143.88 153.84 42.74 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 126.239 1.816 . . . . 34.48 107.257 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mt -137.42 133.0 34.25 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 104.534 -2.395 . . . . 32.46 104.534 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -104.62 131.88 51.51 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 104.135 -2.543 . . . . 37.49 104.135 172.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.01 153.88 38.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 122.421 1.105 . . . . 25.54 110.983 -176.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 m -97.65 157.98 15.75 Favored 'General case' 0 N--CA 1.437 -1.101 0 N-CA-C 106.958 -1.497 . . . . 34.68 106.958 175.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.78 133.04 25.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 CA-C-O 124.185 1.945 . . . . 24.33 107.327 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.36 -17.68 56.49 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-O 115.603 -2.776 . . . . 23.97 109.751 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.7 157.82 36.56 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 121.909 2.855 . . . . 44.72 113.848 173.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -104.56 138.61 40.66 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.071 -1.455 . . . . 27.56 107.071 170.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.12 162.78 38.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 119.943 -1.723 . . . . 19.99 108.437 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -135.99 136.6 40.47 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.73 -0.841 . . . . 29.75 108.73 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.8 mt -120.28 139.33 47.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 105.001 -2.222 . . . . 22.55 105.001 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.6 p -122.17 149.74 43.21 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 122.819 2.554 . . . . 22.72 115.149 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 m -129.43 126.42 38.73 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.605 -1.628 . . . . 24.36 106.605 173.288 -87.826 -154.466 -89.731 103.852 1.995 104.557 -131.282 58.357 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -113.02 127.9 56.35 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.023 -1.103 . . . . 35.29 108.023 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.67 141.18 28.73 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.646 0.98 . . . . 17.01 113.646 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.9 p -72.05 -9.04 57.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 121.706 2.048 . . . . 24.64 112.257 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.95 160.97 29.12 Favored Glycine 0 N--CA 1.44 -1.063 0 N-CA-C 107.909 -2.076 . . . . 18.04 107.909 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -61.49 120.77 11.16 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 117.459 0.63 . . . . 23.36 111.476 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.8 pt -103.11 5.17 10.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 121.591 -0.693 . . . . 17.75 112.563 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 55.62 39.88 30.96 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.839 1.792 . . . . 20.73 115.839 170.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.96 3.01 4.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 116.464 2.024 . . . . 38.99 116.464 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -86.15 76.23 9.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.728 2.058 . . . . 15.67 106.71 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.42 139.4 38.89 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.85 -1.537 . . . . 16.21 106.85 -177.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.16 152.98 47.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.51 -0.768 . . . . 15.63 111.505 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -121.42 140.44 52.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.014 -1.054 . . . . 14.81 108.949 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -126.04 149.12 49.09 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.391 1.076 . . . . 16.62 109.591 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -109.53 138.75 45.43 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.414 -1.328 . . . . 26.08 107.414 171.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -129.49 114.86 16.64 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.141 -1.429 . . . . 23.12 107.141 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HE2' ' O ' ' A' ' 81' ' ' GLU . 30.4 mmtp -79.81 154.23 28.59 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 123.857 0.863 . . . . 43.61 108.692 175.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.5 118.0 2.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.947 0.779 . . . . 64.32 111.126 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.99 24.3 75.85 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 112.978 -1.919 . . . . 40.07 115.19 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.85 169.89 11.11 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 121.865 2.833 . . . . 48.93 107.07 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 m -70.8 152.42 95.12 Favored Pre-proline 0 C--O 1.243 0.747 0 N-CA-C 108.857 -0.794 . . . . 24.38 108.857 174.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.44 149.41 66.09 Favored 'Trans proline' 0 N--CA 1.439 -1.694 0 C-N-CA 122.68 2.253 . . . . 18.29 108.678 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -130.48 130.0 43.65 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.441 -1.318 . . . . 47.37 107.441 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.06 126.53 27.68 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.291 1.043 . . . . 17.28 112.973 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -103.14 -50.6 3.45 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 115.922 1.823 . . . . 21.12 115.922 171.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.33 137.57 43.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 107.166 -1.42 . . . . 15.53 107.166 -170.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -131.37 164.95 24.55 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 107.421 -1.325 . . . . 24.31 107.421 173.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.9 t80 40.59 53.37 3.07 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 126.347 1.859 . . . . 20.02 111.853 -175.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 m 65.5 -39.97 0.3 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.913 2.56 . . . . 15.78 117.913 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -131.53 -13.86 3.32 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 121.751 2.068 . . . . 22.45 113.965 -167.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -89.51 121.59 31.87 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.295 -1.503 . . . . 24.75 111.021 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.39 137.63 50.64 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 113.833 -1.53 . . . . 25.64 111.494 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.48 160.3 31.92 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 107.445 -1.317 . . . . 26.38 107.445 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.24 127.24 31.13 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 122.978 1.371 . . . . 50.2 111.613 178.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.52 -7.88 80.68 Favored Glycine 0 N--CA 1.441 -1.015 0 CA-C-O 116.064 -2.52 . . . . 36.41 112.526 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.1 t -77.62 131.04 72.03 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 123.285 3.542 . . . . 29.73 107.695 179.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.47 150.33 88.81 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.264 2.643 . . . . 27.13 113.234 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.0 p -69.77 -6.82 34.7 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 114.649 1.352 . . . . 38.54 114.649 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -68.88 -13.95 62.74 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 118.942 -1.103 . . . . 26.13 111.131 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -88.05 128.11 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 120.638 1.563 . . . . 24.53 110.536 173.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.4 p -137.61 140.95 41.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.092 -1.63 . . . . 24.64 111.259 172.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.2 151.2 18.11 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 109.221 -1.552 . . . . 20.62 109.221 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -150.18 172.09 15.87 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.337 -1.357 . . . . 23.15 107.337 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.01 166.97 11.43 Favored Glycine 0 C--O 1.248 1.007 0 N-CA-C 110.492 -1.043 . . . . 28.22 110.492 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -162.25 158.25 24.08 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 106.221 -1.77 . . . . 41.97 106.221 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.1 -99.05 0.15 Allowed Glycine 0 C--O 1.24 0.52 0 C-N-CA 120.525 -0.845 . . . . 28.45 112.266 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.4 p -124.47 -11.21 7.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 118.001 2.593 . . . . 30.93 118.001 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.72 135.93 53.4 Favored 'General case' 0 C--O 1.249 1.071 1 CA-C-N 126.624 4.284 . . . . 49.29 107.451 173.42 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -135.64 147.3 48.56 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.205 -0.907 . . . . 21.04 109.925 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.1 m -134.11 147.09 50.79 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 114.607 1.336 . . . . 28.48 114.607 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.9 tp -113.02 127.41 56.22 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 104.285 -2.487 . . . . 19.97 104.285 170.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -115.48 139.37 50.11 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.577 -1.638 . . . . 46.47 106.577 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.5 mt -123.01 112.74 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 N-CA-C 103.276 -2.861 . . . . 23.2 103.276 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.89 133.43 35.68 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 117.642 -1.17 . . . . 43.74 111.669 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.7 m 50.88 61.64 3.13 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 124.429 2.062 . . . . 37.3 112.02 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.91 148.59 49.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 124.336 2.017 . . . . 29.81 113.557 -175.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -115.73 161.18 31.83 Favored Pre-proline 0 C--N 1.312 -1.043 0 CA-C-O 116.063 -1.922 . . . . 37.29 108.493 -167.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.8 -39.83 31.46 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 124.882 3.721 . . . . 20.67 115.033 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.526 ' O ' ' HE2' ' A' ' 39' ' ' LYS . 13.8 pm0 -79.19 2.13 22.13 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 118.889 -2.382 . . . . 40.74 115.028 -179.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -87.26 -11.01 50.94 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.515 1.507 . . . . 21.79 112.342 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.16 138.44 49.6 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 119.495 -2.003 . . . . 26.79 108.968 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.62 -165.09 32.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 107.988 -2.045 . . . . 20.72 107.988 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 m -103.42 154.34 19.53 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 123.564 1.65 . . . . 22.39 109.117 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -133.3 140.95 47.73 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 113.644 -1.616 . . . . 18.46 106.797 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -135.77 143.6 45.35 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.317 1.047 . . . . 19.98 110.836 -175.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.62 153.9 24.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 105.199 -2.149 . . . . 16.79 105.199 172.785 58.357 -131.282 -89.731 104.557 1.995 103.852 -154.466 -87.826 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -142.66 139.84 31.37 Favored 'General case' 0 C--O 1.247 0.96 0 N-CA-C 108.712 -0.847 . . . . 19.4 108.712 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.618 ' HD2' ' H ' ' A' ' 92' ' ' TRP . 23.8 p-80 -102.74 158.16 16.45 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 120.226 1.375 . . . . 15.43 108.323 177.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.48 38.29 3.89 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 122.937 0.495 . . . . 16.35 112.059 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.618 ' H ' ' HD2' ' A' ' 90' ' ' HIS . 75.9 t-105 -100.04 111.68 23.98 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 104.373 -2.454 . . . . 16.81 104.373 -178.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t 48.79 -150.76 0.16 Allowed 'General case' 0 N--CA 1.44 -0.935 0 O-C-N 124.421 1.076 . . . . 17.58 112.109 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.9 p -135.09 156.84 77.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 120.398 -1.439 . . . . 24.31 108.167 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -70.24 148.38 87.69 Favored 'Cis proline' 0 N--CA 1.454 -0.81 0 CA-C-N 124.279 2.564 . . . . 20.09 113.448 -4.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -81.18 150.31 28.72 Favored 'General case' 0 C--N 1.338 0.074 0 N-CA-C 108.486 -0.931 . . . . 16.51 108.486 172.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.0 p -136.21 165.58 25.42 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 119.99 -1.694 . . . . 14.77 107.532 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -114.16 154.86 27.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.262 1.601 . . . . 14.2 109.963 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.53 165.82 54.74 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 107.147 -2.381 . . . . 16.17 107.147 170.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.2 -8.48 83.43 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 119.785 1.792 . . . . 16.64 114.037 -176.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.07 145.48 18.62 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 122.174 2.987 . . . . 18.02 113.25 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 93.3 m -130.01 125.08 34.46 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.745 -1.946 . . . . 17.86 105.745 175.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -90.54 117.14 28.99 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.188 0.518 . . . . 54.9 109.626 173.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -97.66 117.48 32.05 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.193 -2.151 . . . . 24.05 105.193 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.28 156.0 44.69 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.919 0.866 . . . . 52.67 112.999 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 38.7 mt -64.46 136.19 26.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 112.474 -2.148 . . . . 45.1 112.684 -176.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt . . . . . 0 N--CA 1.441 -0.906 1 N-CA-C 99.398 -4.297 . . . . 59.01 99.398 172.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.45 -0.466 1 N-CA-C 99.254 -4.35 . . . . 69.55 99.254 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 75.2 t -87.4 127.52 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-N 121.52 1.964 . . . . 33.03 105.852 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -129.6 137.08 50.5 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.42 1.088 . . . . 51.19 110.311 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.93 135.34 48.23 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 104.403 -2.443 . . . . 18.99 104.403 169.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -138.64 122.7 17.93 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.883 0.873 . . . . 40.55 111.492 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' B' ' 21' ' ' THR . 45.1 mp0 -91.66 148.15 22.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 123.503 0.721 . . . . 24.58 110.178 -178.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.9 m -140.39 135.14 31.79 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 103.399 -2.815 . . . . 34.35 103.399 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.91 -179.35 27.48 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 110.699 -0.96 . . . . 31.35 110.699 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -76.09 -17.32 17.32 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.203 3.269 . . . . 38.03 116.579 -174.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -53.6 4.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 119.043 -2.286 . . . . 36.7 114.833 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 tp -138.13 137.48 37.72 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 119.291 -2.299 . . . . 40.92 105.799 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -145.18 149.49 16.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 122.598 1.189 . . . . 43.84 111.616 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.67 151.06 40.71 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 105.847 -1.909 . . . . 56.28 105.847 175.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.89 -24.58 0.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 1 C-N-CA 125.949 4.432 . . . . 69.08 118.185 169.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -76.3 -6.36 51.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.777 1.028 . . . . 75.68 113.777 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.66 162.41 13.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 119.912 -1.743 . . . . 69.99 109.198 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 71.3 m -100.58 140.93 34.14 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 104.096 -2.557 . . . . 65.4 104.096 171.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 26.6 tp -88.4 134.56 33.8 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 120.476 -1.39 . . . . 54.59 110.551 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -128.21 129.49 46.52 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.117 -2.179 . . . . 39.95 105.117 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -124.78 141.17 45.74 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 104.832 -2.284 . . . . 26.49 104.832 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' B' ' 6' ' ' GLU . 47.3 m -107.95 140.74 40.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.425 0.631 . . . . 21.49 110.68 177.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 40.7 t -116.05 113.89 23.81 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.042 -1.466 . . . . 18.98 107.042 169.471 177.628 103.457 77.816 102.654 2.015 103.745 159.301 56.237 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -102.85 126.81 50.14 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 104.001 -2.592 . . . . 18.57 104.001 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.15 160.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 121.403 -0.811 . . . . 17.36 112.284 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -153.72 154.12 33.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.062 1.411 . . . . 27.74 107.912 173.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.38 -4.4 66.94 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 116.074 -2.514 . . . . 23.03 109.541 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -155.04 161.77 41.24 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 122.926 3.363 . . . . 21.31 109.662 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 t -91.77 142.22 27.83 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.659 -1.275 . . . . 30.58 110.895 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 49.9 mt -74.14 -13.02 60.75 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 119.999 -0.68 . . . . 22.97 112.377 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 63.3 p -74.75 -26.05 59.51 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 120.225 -1.547 . . . . 26.72 110.848 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.96 -2.8 59.33 Favored Glycine 0 C--N 1.344 1.013 0 O-C-N 118.125 -2.86 . . . . 20.88 115.134 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -142.36 154.15 44.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.166 1.983 . . . . 24.53 112.08 -174.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.84 159.57 24.72 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 118.708 -1.711 . . . . 15.72 109.271 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.12 129.65 72.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 119.816 -1.991 . . . . 16.22 105.805 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.59 157.46 18.04 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.486 -1.301 . . . . 15.61 107.486 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -123.98 132.55 53.72 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 103.929 -2.619 . . . . 18.58 103.929 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -135.68 139.62 45.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 114.093 -1.412 . . . . 17.29 109.125 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -124.4 163.73 21.15 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 118.91 -2.368 . . . . 24.47 111.141 173.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -139.76 106.94 6.96 Favored Pre-proline 0 C--O 1.242 0.697 0 O-C-N 120.736 -1.228 . . . . 21.0 108.444 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -62.23 155.69 55.21 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 124.396 3.397 . . . . 25.08 109.109 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -49.3 120.65 5.91 Favored 'Trans proline' 0 CA--C 1.51 -0.678 0 C-N-CA 124.531 3.487 . . . . 33.24 110.689 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.02 29.83 59.77 Favored Glycine 0 CA--C 1.523 0.546 0 O-C-N 125.734 1.896 . . . . 34.06 113.581 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -119.28 -178.7 3.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.134 0.967 . . . . 53.25 110.049 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.35 -179.67 45.22 Favored Glycine 0 N--CA 1.443 -0.855 0 O-C-N 121.568 -0.707 . . . . 20.86 111.615 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.91 146.6 30.71 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 121.314 -1.109 . . . . 17.81 111.482 -175.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -130.6 125.53 34.36 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 117.394 -1.289 . . . . 34.68 108.302 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -78.58 131.65 36.83 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.364 0.984 . . . . 18.06 110.752 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.0 -36.96 7.99 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 121.19 -0.944 . . . . 18.9 112.928 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 159.03 -176.18 35.89 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 119.307 0.958 . . . . 14.15 111.655 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.5 ptm -156.53 166.34 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.691 0.758 . . . . 16.17 112.46 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 tt -135.76 124.36 38.49 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 N-CA-C 102.976 -2.972 . . . . 15.19 102.976 172.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -73.69 164.83 26.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 109.165 -3.652 . . . . 15.58 110.903 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.86 -37.2 57.12 Favored Glycine 0 N--CA 1.463 0.444 0 C-N-CA 124.431 1.015 . . . . 18.78 112.263 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -79.74 1.45 26.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 116.735 2.124 . . . . 21.88 116.735 176.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.88 -11.04 70.08 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 119.506 -1.996 . . . . 18.03 116.437 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -69.27 147.0 51.82 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 120.119 -1.813 . . . . 18.31 109.474 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -119.97 152.49 37.37 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.442 0.297 . . . . 17.94 111.57 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.97 142.12 32.95 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 105.207 -2.146 . . . . 22.9 105.207 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -130.45 155.25 46.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.304 1.05 . . . . 19.4 113.371 -171.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -55.85 132.07 48.57 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 105.929 -1.878 . . . . 21.74 105.929 171.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.9 m -55.58 -44.57 77.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.697 1.369 . . . . 35.2 114.697 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.11 -27.02 59.67 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.15 0.796 . . . . 36.06 113.15 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.38 -3.94 22.05 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 114.081 1.141 . . . . 35.07 114.081 -172.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -49.33 -37.74 25.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.14 1.904 . . . . 54.54 116.14 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.6 p -70.53 -16.15 62.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.952 1.834 . . . . 42.62 115.952 -177.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -107.82 -9.03 15.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.62 1.168 . . . . 36.84 113.09 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.467 HD22 HD11 ' B' ' 80' ' ' LEU . 94.0 mt -113.69 150.29 33.48 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 114.844 1.424 . . . . 32.08 114.844 -172.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 t -151.78 123.22 7.82 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 104.87 -2.27 . . . . 30.31 104.87 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 97.0 mt -115.05 138.01 46.72 Favored 'Isoleucine or valine' 0 C--O 1.243 0.741 0 N-CA-C 107.591 -1.263 . . . . 18.79 107.591 175.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -146.13 172.53 13.29 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 120.247 -1.533 . . . . 20.69 109.649 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.14 156.66 42.86 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.277 -1.514 . . . . 21.44 110.467 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -120.02 105.45 11.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 104.199 -2.519 . . . . 34.02 104.199 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -63.56 -35.08 79.3 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 113.816 1.043 . . . . 32.19 113.816 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -73.61 -36.28 65.47 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 121.052 1.751 . . . . 41.62 112.266 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.406 ' HE3' ' NE2' ' B' ' 77' ' ' GLN . 16.8 mtmt -77.91 -10.12 59.42 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.014 -1.054 . . . . 52.05 113.579 176.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.2 m 58.42 41.9 22.12 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 126.606 1.963 . . . . 28.15 113.283 -174.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.406 ' NE2' ' HE3' ' B' ' 75' ' ' LYS . 27.6 mt-30 -127.24 146.68 50.34 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 114.153 -1.385 . . . . 29.73 112.895 -177.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.83 143.47 38.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 103.049 -2.945 . . . . 19.2 103.049 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -126.22 137.94 53.59 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.691 1.196 . . . . 24.85 110.612 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.467 HD11 HD22 ' B' ' 67' ' ' LEU . 40.8 tp -113.47 126.85 55.78 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 102.332 -3.21 . . . . 23.21 102.332 172.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -120.03 134.73 55.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 103.425 -2.806 . . . . 41.5 103.425 177.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 ttt -137.35 139.98 41.15 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 107.178 -1.416 . . . . 50.25 107.178 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -135.95 179.94 6.04 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 118.895 -2.378 . . . . 53.73 107.492 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m 52.83 52.57 13.68 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.784 1.278 . . . . 44.83 111.498 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -69.59 143.1 53.42 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.617 -1.629 . . . . 46.67 113.478 -173.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -129.12 160.57 32.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 103.408 -2.812 . . . . 62.46 103.408 -174.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' B' ' 114' ' ' VAL . 8.0 p -65.6 -21.59 66.59 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 123.514 2.87 . . . . 44.7 114.507 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -73.93 -1.09 18.22 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.752 -1.218 . . . . 45.96 113.749 175.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ASP . . . . . 0.411 ' HB2' HG21 ' B' ' 114' ' ' VAL . 85.1 m-20 -84.49 -1.15 55.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.08 0.552 . . . . 28.97 111.591 170.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 65.8 m -67.29 121.21 15.2 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 106.848 -1.538 . . . . 26.97 106.848 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.69 173.86 4.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 122.678 1.228 . . . . 22.19 110.19 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -94.37 130.66 40.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 105.134 -2.173 . . . . 40.45 105.134 167.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -109.85 139.1 45.3 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 106.723 -1.584 . . . . 21.23 106.723 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -132.3 138.8 47.97 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.016 1.447 . . . . 23.96 109.506 -174.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . 23.5 p -103.62 147.95 26.6 Favored 'General case' 0 C--O 1.261 1.675 0 N-CA-C 105.217 -2.142 . . . . 16.65 105.217 163.511 56.237 159.301 77.816 103.745 2.015 102.654 103.457 177.628 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.28 30.62 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.898 -1.149 . . . . 14.36 107.898 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 103' ' ' LEU . 38.0 ttp180 -74.14 133.75 42.8 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 122.851 1.31 . . . . 16.95 111.015 174.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.25 128.07 47.55 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.158 -1.423 . . . . 17.2 107.158 171.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -125.15 108.2 11.54 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 107.187 -1.412 . . . . 37.67 107.187 172.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 22.5 t0 44.59 58.1 4.08 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-O 125.104 2.383 . . . . 14.49 117.222 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 65.56 38.35 5.53 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 110.778 -2.919 . . . . 15.75 117.537 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.67 149.14 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 106.983 -1.488 . . . . 19.28 106.983 167.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' B' ' 97' ' ' ARG . 34.1 mt -99.7 98.52 9.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 104.804 -2.295 . . . . 15.31 104.804 -179.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -89.83 -22.59 22.01 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 112.286 -2.234 . . . . 17.63 114.812 -171.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.81 134.94 37.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 121.909 2.14 . . . . 31.75 105.344 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -125.63 146.9 49.51 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 125.043 1.337 . . . . 18.35 109.378 -175.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.4 178.71 53.53 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 109.111 -1.596 . . . . 19.56 109.111 173.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -78.23 -20.72 51.19 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 114.896 1.443 . . . . 54.44 114.896 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 94.09 159.49 34.16 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.055 -0.818 . . . . 21.87 111.055 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . 0.271 0.2 OUTLIER -125.39 140.65 52.62 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 103.244 -2.873 . . . . 29.2 103.244 172.821 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 44.2 m -87.02 133.39 33.59 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 119.354 0.979 . . . . 30.22 110.298 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 14.4 tp -124.11 130.42 52.52 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 120.134 -1.604 . . . . 32.24 108.808 174.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 64.2 m -112.0 131.67 55.27 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 105.781 -1.933 . . . . 32.77 105.781 172.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 87' ' ' THR . 30.6 t -99.81 119.82 48.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.908 -1.886 . . . . 47.22 105.908 175.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 14.6 p -88.7 -155.17 0.32 Allowed 'General case' 0 C--O 1.244 0.802 0 N-CA-C 115.56 1.689 . . . . 63.92 115.56 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 106.695 -1.594 . . . . 70.24 106.695 170.6 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 N--CA 1.439 -1.015 0 N-CA-C 108.256 -1.016 . . . . 40.1 108.256 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 92.0 t -107.71 123.3 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 N-CA-C 101.988 -3.338 . . . . 32.46 101.988 170.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -83.78 155.89 22.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.793 1.282 . . . . 29.5 113.301 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.76 157.73 28.89 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 104.779 -3.328 . . . . 27.03 104.779 168.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -59.62 -43.74 93.7 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 119.666 1.733 . . . . 24.83 114.224 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 127' ' ' CYS . 97.4 m -67.19 -41.82 85.22 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 120.005 1.275 . . . . 25.03 114.163 -177.426 -65.823 -49.17 -69.761 102.783 2.41 101.222 -61.225 -60.655 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.47 -47.07 85.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.846 -1.073 . . . . 47.5 109.875 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.52 -47.18 87.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 120.336 1.426 . . . . 23.65 109.822 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.05 66.26 Favored 'General case' 0 C--O 1.244 0.797 0 O-C-N 119.338 -2.101 . . . . 22.68 114.713 177.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.48 99.32 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 121.622 -0.674 . . . . 22.13 110.919 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.19 81.72 Favored 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.247 -0.908 . . . . 23.74 111.857 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' MET . . . . . . . . . . . . . 20.7 mtt -69.06 -39.32 79.21 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 121.522 -0.736 . . . . 24.87 112.118 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.52 -43.48 89.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.472 -0.566 . . . . 45.46 109.472 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -57.76 -32.64 67.68 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.099 -1.001 . . . . 56.71 111.254 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -91.88 20.85 5.31 Favored 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 117.961 -2.962 . . . . 43.72 114.012 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.05 20.58 69.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 120.16 -1.587 . . . . 25.69 116.155 173.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -86.25 -13.68 46.06 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 121.483 2.641 . . . . 23.16 116.433 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -72.44 110.26 6.71 Favored 'General case' 0 N--CA 1.435 -1.193 0 O-C-N 120.429 -1.419 . . . . 26.78 108.906 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ASN . . . . . . . . . . . . . 61.4 t30 73.22 22.91 2.73 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 125.551 1.54 . . . . 20.26 111.666 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.28 123.87 22.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 104.146 -2.538 . . . . 23.75 104.146 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 50.83 38.21 19.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.07 1.748 . . . . 34.55 110.53 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.02 2.07 90.27 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 115.126 0.81 . . . . 17.12 115.126 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -89.16 120.42 30.54 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 118.637 1.219 . . . . 20.7 113.073 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' C' ' 200' ' ' HOH . 89.5 p -70.62 152.32 44.03 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 108.443 -0.947 . . . . 15.75 108.443 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 tp -46.64 -39.24 10.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 117.618 2.451 . . . . 18.5 117.618 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.02 -29.99 66.07 Favored Glycine 0 CA--C 1.522 0.486 0 O-C-N 120.684 -1.26 . . . . 15.43 113.125 -178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -57.14 -46.82 82.37 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 120.669 -1.489 . . . . 14.54 112.815 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -67.48 -39.1 85.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.256 -1.338 . . . . 25.0 112.65 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.82 -36.16 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.919 -0.771 . . . . 19.85 108.919 175.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 53.3 t -68.88 -37.5 79.09 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 119.668 -1.895 . . . . 17.36 110.451 -179.322 -179.723 -90.28 -90.398 103.878 2.035 103.471 -82.345 -58.823 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.36 90.0 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.191 -1.568 . . . . 18.64 112.649 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.87 92.84 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.09 0.556 . . . . 25.31 110.632 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.71 -51.29 70.4 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 120.673 -1.267 . . . . 27.91 108.7 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -79.27 -20.22 48.61 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.92 2.193 . . . . 27.09 116.92 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -86.41 -56.26 3.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.164 0.431 . . . . 33.96 112.164 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 82.0 p -114.2 -3.86 13.15 Favored 'General case' 0 N--CA 1.435 -1.185 0 O-C-N 120.565 -1.335 . . . . 27.04 114.233 -175.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 53.26 41.83 32.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 125.787 2.708 . . . . 36.58 110.517 -172.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 64.49 24.32 13.09 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 111.357 -2.656 . . . . 26.08 115.657 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -101.22 118.78 37.66 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.815 -1.178 . . . . 35.29 112.416 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -65.12 -23.32 67.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 119.782 -1.824 . . . . 37.88 113.328 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -96.16 10.38 37.93 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 119.223 -2.173 . . . . 53.58 112.175 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.36 142.04 58.01 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 120.375 1.443 . . . . 45.6 114.116 -177.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.2 m -141.6 140.18 33.27 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 116.915 -1.517 . . . . 49.91 108.797 -175.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' C' ' 51' ' ' THR . 42.9 t30 -140.81 114.18 8.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 122.984 2.629 . . . . 64.54 111.487 176.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -74.07 135.55 43.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 116.767 -1.587 . . . . 84.09 109.788 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -111.85 174.89 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 123.186 2.721 . . . . 66.92 112.842 -173.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -84.99 63.45 8.12 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 119.11 -2.244 . . . . 80.77 109.569 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ASP . . . . . 0.536 ' HB2' HH12 ' C' ' 61' ' ' ARG . 0.4 OUTLIER 169.51 155.48 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 101.579 -3.489 . . . . 75.22 101.579 -176.358 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.05 12.3 0.18 Allowed Glycine 0 CA--C 1.52 0.398 0 CA-C-O 115.304 -2.942 . . . . 69.17 116.572 -175.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -83.82 153.92 23.79 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 123.151 3.476 . . . . 58.44 110.863 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' C' ' 44' ' ' ASN . 91.3 m -134.39 141.95 47.02 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 106.035 -1.839 . . . . 47.55 106.035 174.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -102.94 135.31 44.85 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 106.538 -1.653 . . . . 44.45 106.538 -177.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.54 133.57 55.61 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 118.928 2.936 . . . . 48.13 118.928 -171.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.53 -165.78 53.02 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-O 123.412 1.562 . . . . 32.56 116.702 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 tp -51.74 -41.91 30.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 111.762 -2.219 . . . . 29.71 115.117 -178.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -107.78 20.84 18.27 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 119.816 -1.803 . . . . 29.4 111.714 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 43.63 59.32 3.12 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 117.94 2.57 . . . . 28.58 117.94 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 58.3 mt -83.74 129.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.833 1.301 . . . . 30.9 110.429 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -70.58 131.65 44.29 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 111.881 -2.418 . . . . 39.28 117.508 -174.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 95.1 p -73.41 -14.68 61.31 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 116.795 2.146 . . . . 37.08 116.795 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' ARG . . . . . 0.536 HH12 ' HB2' ' C' ' 48' ' ' ASP . 28.9 ttm180 -83.78 -27.92 28.51 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 116.756 -3.715 . . . . 51.79 111.135 175.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -114.6 -44.26 3.09 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 115.704 1.742 . . . . 35.19 115.704 -173.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -103.82 -38.33 7.08 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 116.984 2.216 . . . . 29.96 116.984 -169.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' CYS . . . . . 0.515 ' SG ' ' SG ' ' C' ' 80' ' ' CYS . 19.8 p -124.77 159.43 30.98 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.449 1.477 . . . . 38.31 108.826 174.871 54.751 87.422 91.949 102.945 2.45 104.439 -51.567 -63.098 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -101.06 124.1 46.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.001 0.741 . . . . 55.49 113.001 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -105.71 -2.61 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.776 0.658 . . . . 58.14 112.776 173.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.32 35.61 92.18 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 119.11 0.868 . . . . 60.76 112.261 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -152.88 -19.99 0.16 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.695 -0.854 . . . . 80.6 108.695 -170.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' C' ' 70' ' ' PRO . 35.7 m -94.3 127.42 44.54 Favored Pre-proline 0 N--CA 1.438 -1.026 0 O-C-N 120.172 -1.58 . . . . 56.6 108.837 -178.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' PRO . . . . . 0.533 ' HG2' HH21 ' C' ' 61' ' ' ARG . 52.8 Cg_endo -60.93 121.35 9.55 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.093 2.529 . . . . 61.09 111.478 171.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.78 11.49 60.37 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-O 115.901 -2.611 . . . . 61.22 116.609 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.28 114.05 1.23 Allowed 'General case' 0 C--N 1.352 0.675 1 CA-C-N 124.54 4.17 . . . . 60.87 118.335 -178.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -81.1 -33.4 33.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 113.334 -1.757 . . . . 47.35 110.174 177.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' ASN . . . . . . . . . . . . . 50.5 t30 47.84 50.09 15.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 123.649 1.69 . . . . 43.38 115.49 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -22.65 66.83 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 116.619 2.081 . . . . 32.8 116.619 -178.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 28.0 m -84.77 -12.92 52.68 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 119.446 -2.034 . . . . 37.81 112.386 173.914 -79.024 173.214 83.741 101.347 2.028 105.438 46.562 -176.355 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 59.7 t30 60.82 59.78 2.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 125.521 1.763 . . . . 54.01 109.184 174.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 tp -150.51 142.87 15.93 Favored Pre-proline 0 C--O 1.237 0.409 0 N-CA-C 107.782 -1.192 . . . . 44.01 107.782 -175.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.47 135.94 29.93 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.191 2.594 . . . . 41.1 112.832 166.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.515 ' SG ' ' SG ' ' C' ' 64' ' ' CYS . 73.4 m -54.63 -35.33 63.33 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 113.449 0.907 . . . . 41.94 113.449 -178.729 -63.098 -51.567 91.949 104.439 2.45 102.945 87.422 54.751 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -69.51 -16.18 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 119.443 -2.036 . . . . 53.02 113.413 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -28.08 63.76 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 119.747 -1.846 . . . . 44.68 109.38 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.57 -15.43 60.85 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 117.448 -1.263 . . . . 46.69 110.224 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.0 27.54 0.54 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 122.253 2.297 . . . . 44.02 112.761 177.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -87.05 162.59 17.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 117.914 -2.991 . . . . 45.53 113.159 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -79.88 -15.54 57.16 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.341 -0.849 . . . . 54.68 109.095 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -91.22 135.49 33.75 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 103.298 -2.852 . . . . 51.05 103.298 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 pt -96.62 -0.04 10.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 121.156 1.798 . . . . 37.12 114.938 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -44.64 -51.73 8.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 116.194 1.924 . . . . 40.0 116.194 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.04 92.19 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.989 -1.07 . . . . 29.92 109.968 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -61.44 -36.21 79.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 118.304 -0.855 . . . . 28.44 112.896 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -74.29 -42.8 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.225 0.92 . . . . 27.92 109.378 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.56 -41.65 97.69 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.016 -0.516 . . . . 40.19 112.374 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 94' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.8 -45.87 84.45 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 118.829 0.74 . . . . 26.61 109.278 173.52 -176.355 46.562 83.741 105.438 2.028 101.347 173.214 -79.024 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.08 67.43 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.401 -2.062 . . . . 26.21 113.447 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 96' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 119.82 -1.8 . . . . 42.34 110.942 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -68.31 -41.1 81.36 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 119.388 0.994 . . . . 47.17 109.995 175.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 98' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.5 -42.6 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 O-C-N 123.815 0.697 . . . . 23.67 109.715 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.5 t -91.58 91.4 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 120.827 -1.171 . . . . 24.04 110.122 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 100' ' ' SER . . . . . . . . . . . . . 97.0 p -91.01 -15.5 29.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.089 -1.414 . . . . 35.48 111.185 -173.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -151.83 -178.23 6.61 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 120.669 -1.269 . . . . 29.81 109.983 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.04 5.18 3.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 125.018 1.294 . . . . 29.02 114.271 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -121.8 10.04 10.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 118.815 -2.58 . . . . 46.32 111.223 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.92 -17.23 78.37 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-O 117.511 -1.716 . . . . 23.18 115.913 -172.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' MET . . . . . . . . . . . . . 29.9 mtp -70.94 -8.48 53.38 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 121.791 2.795 . . . . 23.58 115.484 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.16 -13.95 32.47 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 115.208 -0.906 . . . . 38.43 112.205 170.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.06 -22.76 29.42 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 120.819 -1.176 . . . . 25.75 113.758 169.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -107.88 111.09 23.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.159 -1.793 . . . . 24.86 106.159 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.88 -44.09 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.547 0.739 . . . . 28.8 110.254 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.94 81.03 Favored 'General case' 0 CA--C 1.528 0.117 0 O-C-N 120.27 -1.519 . . . . 24.12 112.791 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -64.09 -45.43 88.72 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.795 1.634 . . . . 22.32 109.429 177.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' ARG . . . . . . . . . . . . . 29.6 ttm105 -65.22 -42.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 122.009 0.909 . . . . 60.44 111.496 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -87.62 -25.54 23.51 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.066 1.506 . . . . 36.61 115.066 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -116.72 -17.69 10.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 117.124 2.268 . . . . 50.38 117.124 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' CYS . . . . . . . . . . . . . 75.6 m -110.43 -39.98 4.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 121.354 1.888 . . . . 18.57 113.099 179.714 -58.823 -82.345 -90.398 103.471 2.035 103.878 -90.28 -179.723 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -62.35 124.81 21.89 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.75 -0.833 . . . . 29.4 108.75 -175.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.25 -0.9 69.18 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 118.444 -1.198 . . . . 20.25 113.476 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 29.0 p -109.71 173.84 6.14 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 119.995 1.898 . . . . 14.99 106.334 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -81.36 78.17 8.16 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 123.145 1.45 . . . . 19.73 110.148 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 120' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.92 -30.15 47.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 113.85 1.056 . . . . 14.75 113.85 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -52.65 -29.27 25.41 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.718 -1.239 . . . . 14.93 112.435 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.52 45.68 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 120.731 1.605 . . . . 18.71 111.81 175.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 123' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -68.51 -17.92 64.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.905 1.076 . . . . 26.74 113.905 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 124' ' ' ILE . . . . . . . . . . . . . 2.2 pp -117.7 -8.05 11.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-N 121.941 2.155 . . . . 24.33 113.853 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -64.59 132.89 51.07 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 120.308 -1.495 . . . . 17.07 109.664 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.71 -1.57 85.53 Favored Glycine 0 CA--C 1.543 1.811 0 O-C-N 120.921 -1.112 . . . . 21.67 112.206 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 127' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 6' ' ' CYS . 78.7 m -89.43 146.87 24.36 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 120.874 2.337 . . . . 24.18 106.533 175.516 -60.655 -61.225 -69.761 101.222 2.41 102.783 -49.17 -65.823 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 128' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.47 105.43 12.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.691 -1.596 . . . . 75.84 106.691 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 CA--C 1.554 1.1 0 CA-C-N 110.788 -2.914 . . . . 66.29 105.669 178.236 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 200' ' ' HOH . . . . . 0.462 ' O ' ' HA ' ' C' ' 24' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 273' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 277' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 291' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 294' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 296' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_