data_6xl3_residue ############################ # Computer software used # ############################ 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 6xl3 _Structure_validation_residue.Date_analyzed 2020-07-24 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' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 C--O 1.243 0.737 0 CA-C-O 120.977 0.418 . . . . 54.04 109.963 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 m -60.2 -49.88 75.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.665 -0.814 . . . . 39.47 110.61 173.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -61.89 -41.62 98.1 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.823 -0.751 . . . . 44.21 111.584 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.2 86.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 120.522 -0.471 . . . . 35.72 110.648 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -69.03 -29.11 67.2 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.424 -0.51 . . . . 41.2 112.335 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.77 -36.06 77.84 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 118.478 -1.289 . . . . 33.71 110.286 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -74.74 -29.02 61.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.632 -1.227 . . . . 37.13 111.59 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -63.27 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.389 -0.597 . . . . 36.95 109.389 171.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.68 -47.94 87.33 Favored Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.678 -0.772 . . . . 34.19 112.382 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.2 -49.82 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.373 0.606 . . . . 33.27 110.231 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.07 -46.34 59.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 120.943 0.401 . . . . 39.72 110.256 -170.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -59.09 -44.24 91.91 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.728 -0.389 . . . . 42.27 111.255 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.3 mmt -71.89 -38.71 69.94 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 120.285 -0.566 . . . . 38.13 111.056 -178.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.43 90.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 118.637 -1.225 . . . . 42.9 110.564 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.54 81.27 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.399 -0.52 . . . . 43.87 110.877 173.242 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.82 90.87 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 119.888 -1.149 . . . . 41.33 112.294 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -59.09 -46.5 88.14 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 122.442 -0.446 . . . . 42.36 110.894 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.19 -44.22 97.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.207 -0.451 . . . . 42.34 110.831 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.38 -49.92 67.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.37 -0.932 . . . . 53.09 111.361 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -66.89 -32.63 74.02 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 118.844 -1.142 . . . . 45.49 111.368 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.53 47.8 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 119.85 -1.167 . . . . 44.12 112.521 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -51.93 -44.68 64.0 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.359 -0.495 . . . . 55.14 111.746 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.77 93.42 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.051 -1.071 . . . . 45.32 112.552 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.26 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.646 -0.822 . . . . 47.11 110.878 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -66.2 -31.87 72.96 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.035 0.383 . . . . 69.23 112.035 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -99.19 10.87 40.59 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 113.672 0.989 . . . . 60.99 113.672 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.53 145.26 52.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.017 0.913 . . . . 60.07 111.752 -169.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -55.59 21.43 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.728 -1.123 . . . . 77.16 110.751 -176.027 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -136.45 -172.03 3.05 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.101 -1.074 . . . . 59.33 108.101 -174.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.46 -33.85 76.63 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.102 -0.639 . . . . 58.64 111.899 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -67.7 -42.28 82.27 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.132 -0.627 . . . . 67.02 111.139 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -66.98 -37.69 84.69 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.413 -0.915 . . . . 51.35 110.769 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -63.42 -38.28 90.52 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.875 -0.33 . . . . 62.56 111.322 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.96 -48.74 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 119.155 -1.018 . . . . 42.88 109.849 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.86 -35.53 74.77 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.5 -0.88 . . . . 43.5 111.568 -173.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -68.96 -39.08 79.67 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.504 -0.878 . . . . 47.57 111.145 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 m -63.15 -42.92 99.53 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.661 -0.415 . . . . 41.09 110.898 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 mt -54.0 -54.97 31.69 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.733 -0.787 . . . . 39.08 110.445 175.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.31 -27.65 65.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.229 -0.588 . . . . 40.46 112.375 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.65 -44.12 97.57 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.775 -1.17 . . . . 36.77 111.02 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.19 -34.34 61.51 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.809 -0.757 . . . . 35.99 111.011 -175.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.7 mt -53.89 -48.47 62.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.371 0.605 . . . . 35.16 110.06 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -75.89 -35.98 59.64 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.815 -0.553 . . . . 36.43 111.924 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.83 -42.36 99.7 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.021 -0.672 . . . . 41.43 111.114 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 mt -61.76 -49.01 86.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-O 121.228 0.537 . . . . 36.22 109.897 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.74 72.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.134 -0.626 . . . . 33.83 111.75 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.01 89.05 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.877 -0.729 . . . . 34.24 110.742 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.07 97.66 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.23 -0.986 . . . . 30.64 112.238 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.6 tp -50.79 -55.31 17.43 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.017 0.437 . . . . 32.75 111.254 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -68.8 -33.99 74.77 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.84 -0.744 . . . . 34.79 111.197 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -60.29 -43.26 96.41 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.227 -0.989 . . . . 33.88 110.567 173.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.13 74.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.514 -0.875 . . . . 32.29 110.839 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.41 -42.06 98.14 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.57 -0.287 . . . . 34.63 111.603 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.97 74.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.19 -0.604 . . . . 36.61 111.261 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.31 9.1 24.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.574 0.583 . . . . 37.11 112.574 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.17 20.17 61.26 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.678 -1.249 . . . . 36.77 115.302 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.39 155.32 18.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.767 1.284 . . . . 39.88 110.868 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.82 26.71 73.78 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.322 -0.853 . . . . 35.13 114.732 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -135.73 125.9 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.906 -1.146 . . . . 40.35 107.906 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -135.95 158.62 43.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.162 -1.051 . . . . 39.67 108.162 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.37 113.21 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.421 -1.326 . . . . 42.84 107.421 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.75 127.15 68.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 107.105 -1.443 . . . . 46.59 107.105 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.672 ' ND2' ' O ' ' A' ' 401' ' ' HOH . 88.9 m-20 57.07 42.43 25.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.164 0.507 . . . . 52.04 110.576 -176.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.62 2.92 57.3 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 116.582 1.393 . . . . 43.51 116.582 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -126.02 140.09 36.0 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 119.711 1.755 . . . . 65.5 109.951 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -59.84 126.84 21.54 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 N-CA-C 108.947 -1.213 . . . . 44.32 108.947 165.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -131.48 122.48 26.27 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.213 -0.449 . . . . 41.3 110.222 -169.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -85.33 69.5 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.437 1.113 . . . . 39.65 109.892 -174.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -63.09 -21.59 66.28 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.936 -1.029 . . . . 38.32 113.051 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.58 -23.79 31.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 CA-C-N 118.499 0.591 . . . . 34.65 112.386 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -50.99 -37.1 42.82 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.858 -0.737 . . . . 39.3 111.436 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -69.2 -33.97 74.18 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 119.981 -0.688 . . . . 36.04 111.666 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.17 -49.27 84.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.424 -0.51 . . . . 34.11 110.5 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.6 p -80.88 -38.99 27.13 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.696 -0.802 . . . . 34.15 111.615 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 33.4 m0 -52.21 -38.76 58.89 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.554 -0.458 . . . . 35.43 111.178 171.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.93 -29.35 67.04 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.486 -0.486 . . . . 33.79 111.804 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.7 -36.57 12.86 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 113.123 0.786 . . . . 42.99 113.123 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 p -87.21 -36.4 18.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.833 0.679 . . . . 33.72 112.833 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.6 p -69.21 -34.56 5.03 Favored Pre-proline 0 C--O 1.239 0.538 0 C-N-CA 118.693 -1.203 . . . . 35.81 113.413 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -60.31 -32.25 93.92 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 CA-C-N 121.093 1.426 . . . . 35.43 112.557 171.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.76 -36.55 78.48 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.1 -0.64 . . . . 36.29 111.21 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.12 -47.67 84.93 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.337 -0.545 . . . . 39.99 110.979 172.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.65 -31.22 71.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.786 -0.765 . . . . 37.92 111.057 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.61 -29.72 66.18 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.428 -0.909 . . . . 39.35 111.434 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -50.49 -47.24 57.26 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.398 -0.921 . . . . 38.67 110.138 169.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.46 -45.62 71.97 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.376 -0.374 . . . . 43.94 111.703 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 p -75.89 -26.76 57.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.037 -0.665 . . . . 42.64 112.227 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.77 -45.37 75.06 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.091 -0.644 . . . . 48.76 110.991 172.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.87 -39.34 79.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.735 -0.786 . . . . 44.89 111.292 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.14 -13.25 83.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.65 -1.262 . . . . 46.51 114.536 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 52.19 49.83 19.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.608 1.194 . . . . 83.62 110.383 -169.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.0 m -68.6 147.62 51.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.482 -1.235 . . . . 43.35 111.749 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.0 p -63.75 163.76 11.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.214 1.007 . . . . 44.91 111.644 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.06 -54.34 56.33 Favored Pre-proline 0 C--O 1.242 0.71 0 CA-C-N 114.927 -1.033 . . . . 47.76 113.427 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.21 -34.65 67.51 Favored 'Trans proline' 0 C--O 1.237 0.427 0 CA-C-N 120.882 1.351 . . . . 47.22 113.134 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.5 -36.29 71.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.358 -0.537 . . . . 45.17 110.859 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 94.9 m -64.59 -44.63 90.04 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.566 -0.454 . . . . 42.43 111.049 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.46 -38.09 95.32 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 119.771 -1.204 . . . . 37.81 112.754 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -60.25 -44.32 95.38 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 122.099 -0.647 . . . . 45.79 111.375 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.74 -45.66 93.43 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.076 -0.649 . . . . 39.21 110.541 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.42 -42.65 82.86 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.212 -0.449 . . . . 43.52 110.948 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.61 63.12 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.639 -1.267 . . . . 35.24 112.672 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.2 -40.52 77.6 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 122.467 -0.431 . . . . 36.14 111.328 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -63.09 -47.31 83.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.71 0.29 . . . . 36.32 111.355 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.92 98.05 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 122.366 -0.209 . . . . 31.58 111.373 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -57.46 -45.85 84.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 120.813 0.339 . . . . 37.42 110.898 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 53.3 ttp -55.81 -44.6 78.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.923 0.392 . . . . 38.49 111.559 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.71 -39.42 64.35 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 118.644 -1.222 . . . . 34.56 111.398 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.49 -46.75 88.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 119.383 -0.927 . . . . 34.56 110.303 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -71.38 -30.2 65.85 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 118.394 -1.322 . . . . 33.76 111.242 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.09 -38.72 96.38 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 119.843 -1.17 . . . . 34.34 112.404 169.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.4 -42.45 98.75 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 118.687 -1.205 . . . . 35.94 110.606 174.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.0 -42.45 93.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 119.869 -0.732 . . . . 33.83 110.484 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.98 73.66 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 121.912 -0.492 . . . . 34.63 111.658 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.7 m -77.38 -29.06 53.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.126 0.417 . . . . 39.56 112.126 -173.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 m -101.04 -2.39 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 113.217 0.821 . . . . 36.99 113.217 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.9 p -99.45 156.24 35.63 Favored Pre-proline 0 C--N 1.347 0.473 0 CA-C-N 119.442 1.019 . . . . 40.18 111.09 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -78.67 158.39 28.33 Favored 'Trans proline' 0 C--N 1.33 -0.442 0 CA-C-O 122.089 0.787 . . . . 43.09 111.938 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -70.87 144.79 91.04 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.957 -1.02 . . . . 58.58 110.011 170.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -92.15 -5.12 45.7 Favored 'Cis proline' 0 C--N 1.345 0.368 0 N-CA-C 115.232 1.205 . . . . 46.81 115.232 4.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -58.9 -32.83 69.87 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.839 -0.744 . . . . 59.9 111.863 -177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.1 p -54.47 -34.7 62.02 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.17 0.434 . . . . 40.4 112.17 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -62.42 -33.9 75.7 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 112.591 0.589 . . . . 60.61 112.591 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.49 -47.69 89.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.606 0.717 . . . . 40.49 110.138 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -70.67 -34.91 72.51 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.917 -0.713 . . . . 35.44 111.47 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -56.21 -44.08 79.16 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.85 0.357 . . . . 42.19 111.137 173.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.6 -43.17 94.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 116.619 -0.264 . . . . 45.38 110.658 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.17 -45.16 99.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.389 0.614 . . . . 38.76 110.478 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 t -61.16 -43.78 98.34 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 121.602 -0.686 . . . . 38.04 111.642 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 65.4 m -61.75 -39.13 90.5 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 120.373 -0.531 . . . . 40.31 111.479 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.45 92.17 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.679 -0.409 . . . . 40.08 111.067 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.05 83.77 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.618 -0.433 . . . . 39.43 111.322 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.74 -40.97 96.21 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.019 -1.073 . . . . 41.79 111.377 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.75 -34.71 78.5 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.477 -0.889 . . . . 48.55 111.07 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.7 90.69 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.217 -0.593 . . . . 40.17 111.254 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.87 -47.4 89.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.535 -0.466 . . . . 39.67 110.43 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.37 -46.67 81.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.831 0.348 . . . . 45.5 110.437 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -64.28 -44.27 92.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.066 -1.053 . . . . 59.1 111.419 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.17 -40.81 97.27 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.427 -0.509 . . . . 46.37 111.399 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.15 -43.43 64.66 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.424 -0.51 . . . . 44.16 111.132 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.38 -22.32 54.93 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 113.025 0.75 . . . . 49.52 113.025 -172.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -116.57 -85.23 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.469 0 CA-C-O 117.612 -1.185 . . . . 54.42 110.358 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -61.55 -37.06 72.99 Favored 'Trans proline' 0 C--N 1.353 0.799 0 CA-C-N 122.552 1.947 . . . . 47.7 114.397 -171.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -65.22 -46.54 80.24 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 118.25 -1.38 . . . . 47.39 110.924 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -67.85 -44.92 76.02 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.582 0.23 . . . . 61.76 111.085 -175.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 30.1 mt -60.28 -49.42 84.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 120.999 0.428 . . . . 58.55 110.613 -177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.32 90.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.107 -0.637 . . . . 51.7 111.268 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.43 78.04 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.861 -0.735 . . . . 49.8 110.713 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -69.72 -40.12 76.41 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.833 -0.347 . . . . 66.4 111.449 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -59.61 -36.28 76.01 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.547 -0.861 . . . . 73.55 111.164 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -83.11 -19.8 36.05 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 113.202 0.815 . . . . 58.05 113.202 -178.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 402' ' ' HOH . 62.8 m80 -124.4 62.66 32.16 Favored Pre-proline 0 C--O 1.236 0.389 0 CA-C-N 118.853 0.751 . . . . 53.76 109.627 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.31 -28.4 62.37 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 120.552 0.835 . . . . 54.97 114.201 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -85.58 -12.45 51.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.25 0.833 . . . . 88.54 113.25 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 73.5 m -118.89 25.88 9.91 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.839 0.745 . . . . 58.11 112.641 -172.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -53.39 -36.04 61.01 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.102 0.408 . . . . 71.74 112.102 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.48 -32.4 71.28 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.344 -0.942 . . . . 62.08 111.689 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -55.25 -46.42 76.04 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.208 0.528 . . . . 49.08 110.911 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -73.0 -37.4 67.0 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.687 -0.405 . . . . 49.35 111.705 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -56.98 -40.13 75.94 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.453 -0.499 . . . . 68.94 111.287 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.3 m -68.81 -46.07 69.61 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.104 -0.373 . . . . 50.92 111.24 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.08 -52.41 43.71 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 51.18 111.61 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.06 -39.83 84.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 120.826 0.346 . . . . 49.12 110.64 -177.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.6 m -60.56 -51.59 68.79 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.816 -0.552 . . . . 45.53 111.435 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.87 -43.05 94.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 119.624 -0.83 . . . . 45.1 110.403 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.62 -53.83 51.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.247 -0.581 . . . . 47.28 111.458 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.42 -29.22 63.52 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.509 -0.877 . . . . 52.0 112.195 -174.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.91 -48.8 86.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 119.25 -0.98 . . . . 41.34 109.931 174.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 54.6 mt -66.6 -46.8 74.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.845 -0.534 . . . . 40.98 111.631 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -70.79 -32.22 69.24 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.376 -1.33 . . . . 40.49 111.431 -173.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 36.2 m -63.28 -26.66 68.88 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.705 -0.798 . . . . 38.78 111.576 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.11 -22.96 62.97 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 118.827 -1.149 . . . . 45.66 112.241 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.43 -52.92 62.37 Favored Pre-proline 0 C--O 1.25 1.128 0 CA-C-O 118.27 -0.871 . . . . 37.21 113.032 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.56 -22.83 43.94 Favored 'Trans proline' 0 CA--C 1.511 -0.663 0 CA-C-N 121.982 1.743 . . . . 38.95 113.1 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.2 -46.54 77.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.861 0.362 . . . . 38.63 110.104 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.69 -47.37 82.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.099 0.476 . . . . 41.33 110.454 174.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -57.8 -52.82 63.91 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 122.147 -0.345 . . . . 39.55 111.72 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 7.4 tp -67.94 -29.37 44.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 120.804 -0.358 . . . . 47.37 111.742 -174.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 79.5 mt -84.62 -18.56 35.07 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.348 -0.845 . . . . 48.3 112.835 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.8 p -70.15 178.13 1.15 Allowed Pre-proline 0 C--O 1.241 0.656 0 C-N-CA 126.309 1.844 . . . . 45.85 109.772 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.01 -12.33 22.21 Favored 'Trans proline' 0 C--O 1.241 0.662 0 CA-C-N 119.996 1.034 . . . . 52.38 114.244 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.4 -25.08 67.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 119.4 1.0 . . . . 53.93 111.109 172.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -124.56 -100.57 1.34 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 113.782 0.273 . . . . 54.42 113.782 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -88.21 -4.1 58.77 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.849 1.055 . . . . 65.96 113.849 -170.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 15.8 m 52.29 50.0 19.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 118.861 0.755 . . . . 58.98 112.367 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 8.8 p -87.37 -4.82 59.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.423 0.897 . . . . 55.06 113.423 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.23 168.15 28.02 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.209 0.913 . . . . 48.55 108.751 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 46.9 p -84.67 167.4 16.23 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.723 1.209 . . . . 55.55 111.8 -172.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -56.44 -36.21 68.75 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 114.948 -1.024 . . . . 56.27 111.496 173.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -58.9 -47.75 89.04 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 120.206 -0.997 . . . . 44.04 112.12 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 74.7 m -68.72 -40.65 79.82 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 120.415 -0.514 . . . . 47.9 111.086 177.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.44 -48.18 69.02 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.85 0.357 . . . . 55.95 110.86 174.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.0 m -58.22 -43.48 87.7 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 120.376 -0.53 . . . . 41.94 110.983 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.12 -44.23 95.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.473 -0.491 . . . . 44.75 110.937 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.58 -45.35 79.54 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.797 -0.761 . . . . 45.46 111.57 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -65.35 -34.67 78.86 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.932 -0.707 . . . . 41.07 110.922 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.0 m -69.66 -43.89 71.64 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.347 -0.541 . . . . 37.98 111.3 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.29 -48.2 81.24 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.914 -0.714 . . . . 39.89 111.313 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.78 -49.69 76.47 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.427 -0.509 . . . . 37.2 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.95 -42.15 79.57 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.921 -0.712 . . . . 43.67 111.061 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.08 -41.57 87.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 118.979 -1.088 . . . . 39.95 110.256 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.82 82.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.647 -0.821 . . . . 38.38 111.705 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 97.5 p -87.35 -9.68 54.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.573 -0.851 . . . . 44.64 112.304 -170.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -113.06 -64.92 1.24 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.776 0.43 . . . . 40.32 110.481 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.13 -53.26 30.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 118.998 0.817 . . . . 43.4 110.288 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -57.32 -57.73 18.26 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.013 -0.613 . . . . 41.58 113.637 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.65 -35.02 75.17 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.324 -0.55 . . . . 42.2 111.58 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -57.19 -42.7 93.47 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.202 -0.999 . . . . 42.32 112.968 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.8 -44.26 81.72 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.069 -0.652 . . . . 53.13 111.475 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 25.6 tp -53.46 -45.05 69.4 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.923 0.392 . . . . 43.42 111.503 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 18.8 p -60.81 -40.66 93.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 118.674 -1.21 . . . . 43.1 110.885 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.65 -45.07 88.33 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.864 -0.734 . . . . 47.95 111.324 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.73 -36.62 81.49 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.465 -0.494 . . . . 65.76 111.079 176.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 52.5 m -61.91 -38.63 89.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.308 -0.557 . . . . 48.91 110.747 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.05 -41.61 86.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.446 -0.902 . . . . 52.14 110.929 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -57.52 -44.64 85.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.088 -0.645 . . . . 74.64 111.286 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 59.6 m -61.0 -38.17 85.11 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.538 -0.465 . . . . 58.71 111.788 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.81 -38.81 87.2 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.284 -0.566 . . . . 59.02 111.321 178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -67.99 -41.21 82.63 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.33 -0.548 . . . . 66.79 111.321 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -67.04 -27.74 67.64 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.036 0.384 . . . . 82.95 112.036 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' ALA . . . . . . . . . . . . . . . -76.28 -0.68 23.29 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.055 0.761 . . . . 75.9 113.055 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 1.4 m -136.18 40.94 2.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.619 0.645 . . . . 85.67 110.565 173.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.195 0.521 . . . . 95.56 110.301 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.357 0.599 . . . . 67.06 111.259 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -57.67 -46.7 83.93 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.578 -0.737 . . . . 49.25 110.555 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -63.62 -43.77 95.88 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 122.062 -0.399 . . . . 49.03 111.658 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.07 -0.652 . . . . 42.43 111.226 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -69.16 -31.14 69.59 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.477 -0.889 . . . . 44.62 111.42 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.05 -42.3 97.08 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.659 -0.816 . . . . 38.89 110.769 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -67.02 -35.47 79.98 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.45 -0.9 . . . . 46.29 111.319 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -61.83 -37.75 78.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.142 -0.623 . . . . 41.47 110.174 174.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.78 -49.1 82.38 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.2 -1.0 . . . . 36.99 112.51 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 77.6 t -53.48 -52.4 33.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 O-C-N 121.939 -0.742 . . . . 40.47 110.13 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.34 -47.22 94.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.236 0.541 . . . . 45.19 110.759 -176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -64.7 -44.19 91.07 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.414 -0.914 . . . . 42.92 111.285 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mmt -68.59 -35.02 76.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.548 -0.861 . . . . 42.38 110.756 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.94 99.62 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.235 -0.586 . . . . 45.95 111.307 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.92 -47.24 75.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.717 -0.393 . . . . 50.82 111.253 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.79 63.28 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.091 -1.052 . . . . 46.97 112.46 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -51.9 -46.95 64.77 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 122.383 -0.481 . . . . 49.24 111.483 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.97 -46.51 88.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.144 0.497 . . . . 53.55 110.166 -176.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.21 -55.83 28.33 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.622 -0.831 . . . . 64.23 111.38 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -66.46 -34.83 78.82 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.449 -0.9 . . . . 50.87 111.193 -176.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.64 -37.57 92.59 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 119.748 -1.215 . . . . 51.37 112.413 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.79 -49.69 75.33 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 69.35 111.032 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.98 -37.59 58.55 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.42 -0.895 . . . . 60.16 112.879 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.49 94.16 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.92 -0.712 . . . . 60.48 110.966 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -71.65 -35.52 70.38 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.993 -0.283 . . . . 73.18 111.7 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -95.01 2.65 55.35 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.603 0.964 . . . . 73.58 113.603 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 152.8 7.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.515 0.674 . . . . 73.43 111.489 -165.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -80.64 -27.16 37.29 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.369 -0.832 . . . . 80.47 113.044 -172.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -161.94 -172.79 3.4 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.329 -0.989 . . . . 72.3 108.329 175.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.72 -30.43 69.92 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.832 -0.747 . . . . 77.09 112.266 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -64.55 -43.44 93.94 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.157 -0.617 . . . . 83.12 110.87 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -71.15 -34.54 71.08 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.856 -0.337 . . . . 59.78 111.507 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.12 -50.76 68.43 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.602 -0.439 . . . . 70.56 110.778 172.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.35 -48.15 88.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.202 0.525 . . . . 51.37 110.386 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -70.4 -43.09 70.73 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.132 -0.627 . . . . 51.97 111.806 -172.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -61.29 -42.17 98.2 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.109 -0.636 . . . . 54.55 111.374 173.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 60.9 m -66.25 -40.71 90.36 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.497 -0.481 . . . . 45.91 111.095 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.68 -50.19 68.84 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.958 0.409 . . . . 43.49 110.961 174.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASN . . . . . 0.405 ' ND2' ' OD2' ' B' ' 85' ' ' ASP . 28.6 m120 -75.62 -26.05 57.44 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.305 -0.558 . . . . 45.31 112.093 -176.567 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -60.04 -52.36 65.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 119.567 -0.853 . . . . 42.09 110.543 172.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.79 -37.85 87.41 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.058 -1.057 . . . . 41.71 110.871 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mt -54.43 -48.48 69.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-O 121.166 0.508 . . . . 36.07 109.942 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -73.22 -36.02 66.41 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 120.592 -0.443 . . . . 40.48 111.707 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.82 -44.42 96.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.505 -0.478 . . . . 41.35 111.104 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.38 -47.78 83.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-O 121.501 0.667 . . . . 37.65 109.812 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.9 71.5 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.323 -0.551 . . . . 35.87 111.613 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.55 93.78 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.076 -1.05 . . . . 38.24 110.551 176.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.3 91.05 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 119.437 -1.363 . . . . 35.4 112.241 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 31.5 tp -51.96 -52.05 53.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 122.409 -0.466 . . . . 33.77 110.776 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -72.11 -33.64 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 119.88 -0.728 . . . . 35.11 111.234 -172.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.83 -44.58 96.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.389 -0.524 . . . . 36.46 110.888 172.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -52.58 64.76 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.26 -0.576 . . . . 34.22 110.896 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.86 -45.32 86.57 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.272 -0.571 . . . . 35.95 111.465 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.66 69.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 119.762 -0.775 . . . . 41.23 111.703 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 2.87 34.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 118.13 -0.938 . . . . 43.12 113.285 177.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.09 59.05 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 115.677 1.031 . . . . 37.38 115.677 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.61 154.75 18.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.485 1.142 . . . . 38.47 110.819 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.67 23.31 78.13 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.768 -1.206 . . . . 38.39 113.87 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.48 130.42 56.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.886 -1.153 . . . . 41.6 107.886 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -137.93 156.83 47.47 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.644 -0.873 . . . . 44.57 108.644 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -77.82 113.19 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 107.895 -1.15 . . . . 41.26 107.895 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.9 mt -127.34 129.85 70.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.933 -1.136 . . . . 46.88 107.933 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 48.07 39.69 11.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.436 0.636 . . . . 53.48 111.103 -170.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.13 16.33 80.77 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 115.838 1.095 . . . . 44.21 115.838 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -138.36 135.57 18.39 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 118.385 1.092 . . . . 68.98 110.295 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.58 116.71 3.17 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 120.829 1.02 . . . . 44.39 111.897 168.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -123.72 119.87 31.04 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.786 -0.45 . . . . 41.08 109.786 -174.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -82.53 70.53 9.52 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 122.703 1.24 . . . . 41.53 109.229 -177.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -60.98 -22.87 64.9 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.671 -1.149 . . . . 41.41 112.719 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.06 -21.61 24.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 118.502 0.592 . . . . 34.09 112.169 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ARG . . . . . 0.547 ' NE ' ' O ' ' B' ' 403' ' ' HOH . 83.3 mtt-85 -53.34 -35.51 60.32 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.166 -1.014 . . . . 38.26 110.918 176.166 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -72.56 -31.83 65.56 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.262 -0.975 . . . . 35.47 111.237 -177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.95 -49.95 77.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.36 -0.536 . . . . 33.73 110.315 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -77.01 -33.86 57.47 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 119.721 -0.792 . . . . 37.04 112.185 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -59.16 -34.0 71.58 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.808 -1.157 . . . . 35.08 110.69 174.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.96 -27.41 68.83 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.573 -0.451 . . . . 39.32 111.327 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.87 -40.1 10.81 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.953 0.901 . . . . 43.53 113.026 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 55.1 p -79.35 -41.76 27.16 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 112.913 0.708 . . . . 36.43 112.913 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 57.5 p -66.26 -36.06 11.96 Favored Pre-proline 0 C--O 1.242 0.67 0 CA-C-O 117.666 -1.159 . . . . 34.84 113.856 -174.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.99 -38.03 97.03 Favored 'Trans proline' 0 C--N 1.349 0.567 0 CA-C-N 121.757 1.663 . . . . 37.03 112.736 170.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -66.16 -37.42 85.59 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.63 -0.428 . . . . 36.99 111.14 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.66 -41.85 98.1 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.659 -0.816 . . . . 38.95 110.56 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.86 -33.91 75.05 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.772 -0.771 . . . . 40.01 111.237 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.54 -28.68 65.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.545 -0.862 . . . . 42.3 112.352 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' B' ' 39' ' ' ASN . 55.4 m-20 -51.25 -45.73 62.12 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 119.033 0.833 . . . . 45.99 110.237 169.404 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mt -71.8 -44.14 64.47 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.419 . . . . 44.26 111.341 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 81.4 p -74.99 -31.09 61.35 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.794 -1.163 . . . . 45.71 111.27 -174.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.86 -52.57 62.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.71 -0.396 . . . . 50.32 111.023 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.08 -39.59 82.62 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.206 -0.597 . . . . 48.64 110.801 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.48 -21.9 76.5 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 118.887 -0.952 . . . . 50.01 115.458 -177.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 55.42 47.37 21.33 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.579 1.189 . . . . 81.9 110.172 -165.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -67.39 149.23 50.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.964 -1.016 . . . . 49.36 111.193 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -70.77 161.88 30.12 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 122.065 0.936 . . . . 56.35 111.611 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.94 -51.72 77.36 Favored Pre-proline 0 C--O 1.24 0.577 0 CA-C-N 114.75 -1.114 . . . . 55.13 112.912 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -60.58 -33.84 93.14 Favored 'Trans proline' 0 C--O 1.24 0.615 0 CA-C-N 121.466 1.559 . . . . 54.02 113.355 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.52 -42.58 61.57 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.266 -0.973 . . . . 49.88 111.031 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 91.5 m -59.39 -44.65 92.74 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.985 -0.286 . . . . 48.86 111.376 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.16 94.81 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 119.842 -1.17 . . . . 43.1 112.212 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 4.2 m -62.16 -42.15 98.99 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.5 -0.412 . . . . 44.35 111.494 177.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.22 -47.91 82.32 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.942 0.401 . . . . 42.69 110.798 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.95 -41.54 86.76 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 116.589 -0.278 . . . . 44.3 111.374 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.03 94.87 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.046 -1.073 . . . . 37.01 112.435 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.05 96.54 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 122.261 -0.552 . . . . 36.52 110.712 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -60.22 -47.46 85.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.895 0.378 . . . . 35.03 111.488 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.64 94.03 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.903 -0.719 . . . . 35.98 110.621 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.62 -45.84 81.29 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 120.842 0.353 . . . . 38.99 111.027 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.28 -46.98 76.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.713 0.292 . . . . 38.85 111.528 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.51 -42.66 67.72 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.833 -0.747 . . . . 37.59 111.847 -174.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.65 -47.33 91.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 119.969 -0.692 . . . . 33.25 110.44 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 69.9 p -73.5 -28.8 62.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 118.209 -1.397 . . . . 33.39 110.892 -176.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.78 -38.55 93.15 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 120.807 -0.711 . . . . 32.56 112.236 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.58 -44.54 81.14 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.35 -0.54 . . . . 35.21 111.162 168.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.86 -42.05 94.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 119.761 -0.775 . . . . 32.61 110.301 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.67 72.87 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.634 -0.427 . . . . 36.42 111.34 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 79.8 m -73.95 -29.84 62.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.323 0.49 . . . . 37.61 112.323 -174.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.55 3.13 10.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 113.472 0.915 . . . . 37.15 113.472 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 22.7 p -103.55 155.05 37.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 119.042 0.837 . . . . 41.63 111.329 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -76.49 162.61 33.11 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-O 122.161 0.817 . . . . 42.98 111.914 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 183' ' ' GLY . 67.4 mttt -80.28 148.49 67.13 Favored Pre-proline 0 C--N 1.343 0.306 0 CA-C-N 114.986 -1.006 . . . . 50.53 110.255 170.201 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -88.08 1.07 68.16 Favored 'Cis proline' 0 C--O 1.237 0.453 0 N-CA-C 114.914 1.082 . . . . 42.82 114.914 4.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.72 -34.82 78.69 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.577 -0.849 . . . . 62.77 111.286 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 p -52.71 -30.1 30.4 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.243 -0.583 . . . . 41.98 112.093 174.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -68.97 -32.68 72.44 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 119.931 -0.708 . . . . 56.98 112.067 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 60.5 mt -57.02 -50.95 74.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.567 0.699 . . . . 41.09 110.116 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -68.54 -32.22 72.0 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.073 -0.651 . . . . 36.72 111.461 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.8 -45.43 92.35 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.39 -0.524 . . . . 38.61 110.841 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.69 -45.24 97.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.007 0.432 . . . . 45.39 110.413 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.88 -48.02 78.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.135 -0.626 . . . . 37.7 110.401 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 9.6 t -60.57 -43.69 97.02 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.97 -0.456 . . . . 34.06 111.724 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 58.0 m -61.38 -41.23 96.77 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.951 -0.7 . . . . 38.58 111.543 176.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.5 -49.17 70.8 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.595 -0.842 . . . . 39.79 110.719 174.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.46 85.8 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.414 -0.914 . . . . 38.0 110.77 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.29 -38.46 91.12 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.42 -0.912 . . . . 39.92 111.886 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.54 -34.73 77.51 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.549 -0.719 . . . . 46.8 111.76 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.36 84.0 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 119.994 -0.682 . . . . 41.12 111.287 171.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.84 -40.7 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.185 -0.606 . . . . 41.83 110.225 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.2 -50.72 75.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.193 0.52 . . . . 45.82 110.33 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -59.29 -49.5 77.57 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 120.136 -0.626 . . . . 67.95 111.159 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.62 -38.6 81.73 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.398 -0.521 . . . . 46.57 111.387 -176.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 46.2 mt -79.7 -36.89 36.83 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.155 -1.018 . . . . 45.26 111.509 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -78.38 -24.85 46.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.673 0.99 . . . . 51.12 113.673 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -116.25 -83.09 0.0 OUTLIER Pre-proline 0 C--O 1.237 0.396 0 C-N-CA 118.137 -1.425 . . . . 63.51 110.571 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -54.86 -46.11 35.8 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 CA-C-N 122.093 1.783 . . . . 50.73 114.238 -172.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -63.27 -50.41 70.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 119.884 -0.726 . . . . 49.82 111.208 -175.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -65.71 -36.56 83.97 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 120.739 0.304 . . . . 62.14 111.011 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 56.3 mt -66.88 -49.19 76.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.029 -0.668 . . . . 57.4 110.299 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.97 95.58 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.974 -0.69 . . . . 51.75 111.152 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.61 96.79 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 118.988 -1.085 . . . . 51.14 110.902 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' GLU . . . . . 0.455 ' OE2' ' NE ' ' B' ' 160' ' ' ARG . 76.0 mt-10 -65.89 -39.61 90.8 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.841 -0.344 . . . . 65.97 111.449 177.181 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -68.22 -25.15 65.06 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 112.443 0.535 . . . . 73.8 112.443 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -88.01 -16.41 33.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.419 0.896 . . . . 58.48 113.419 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.54 72.08 74.77 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 108.809 -0.812 . . . . 62.74 108.809 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -61.65 -29.14 83.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 N-CA-C 113.558 0.561 . . . . 64.6 113.558 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -81.89 5.41 19.03 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.284 0.846 . . . . 85.47 113.284 179.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' SER . . . . . . . . . . . . . 68.3 m -139.6 37.82 2.03 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.898 0.772 . . . . 59.84 110.821 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -53.82 -45.48 70.84 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.161 -0.616 . . . . 74.69 111.393 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.25 -37.17 84.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.091 -0.644 . . . . 66.74 111.471 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.4 86.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.631 -0.428 . . . . 48.3 111.064 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -75.62 -35.39 60.52 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.431 0.53 . . . . 52.57 112.431 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' ARG . . . . . 0.455 ' NE ' ' OE2' ' B' ' 149' ' ' GLU . 81.8 mtt180 -62.64 -41.27 98.94 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.983 -0.687 . . . . 68.0 110.684 175.057 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' THR . . . . . . . . . . . . . 21.1 m -65.62 -44.78 85.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.907 0.384 . . . . 50.04 111.328 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.13 -44.68 96.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.902 0.382 . . . . 49.42 111.608 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' VAL . . . . . . . . . . . . . 45.5 t -69.29 -42.27 81.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 120.27 -0.572 . . . . 46.26 110.242 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' THR . . . . . . . . . . . . . 86.9 m -61.04 -47.92 84.15 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.967 -0.293 . . . . 43.23 111.364 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.16 -43.95 90.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 120.026 -0.67 . . . . 40.08 110.5 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -57.24 -49.73 75.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.048 0.451 . . . . 46.01 110.852 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' B' ' 171' ' ' THR . 83.6 mt -70.03 -34.3 73.09 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 120.626 -0.43 . . . . 39.46 111.5 -175.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' VAL . . . . . . . . . . . . . 11.8 t -61.99 -49.48 83.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.372 0.606 . . . . 37.4 110.023 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 32.3 mt -65.78 -47.81 73.9 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 120.874 0.368 . . . . 39.74 111.857 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -67.98 -35.27 78.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.759 -0.776 . . . . 38.53 111.351 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' B' ' 167' ' ' LEU . 27.3 m -62.8 -26.11 68.57 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.586 -0.846 . . . . 36.06 111.263 -177.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.38 -21.47 62.01 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.399 -0.81 . . . . 36.79 112.355 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -62.97 -54.65 44.74 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 119.671 -0.811 . . . . 34.41 112.448 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -23.66 72.53 Favored 'Trans proline' 0 C--O 1.239 0.562 0 CA-C-N 121.187 1.46 . . . . 36.29 113.062 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.68 -47.49 82.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.856 -0.738 . . . . 35.67 110.438 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' VAL . . . . . . . . . . . . . 89.3 t -58.42 -49.37 82.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.254 0.549 . . . . 36.84 110.592 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -54.36 -53.24 56.62 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.803 -0.561 . . . . 39.62 111.308 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' ILE . . . . . . . . . . . . . 3.9 tp -67.93 -22.86 28.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 113.587 0.958 . . . . 42.58 113.587 -176.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 49.3 mt -92.86 -14.28 27.9 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.646 -1.284 . . . . 39.15 112.388 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 25.6 p -69.85 174.93 2.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 124.878 1.271 . . . . 40.74 110.696 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.51 -10.77 5.44 Favored 'Trans proline' 0 C--O 1.238 0.493 0 N-CA-C 113.346 0.479 . . . . 49.17 113.346 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.51 -18.6 59.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.897 0.703 . . . . 51.92 112.897 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 119' ' ' LYS . . . -129.19 -107.12 1.28 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.919 -0.472 . . . . 50.24 111.919 173.253 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -76.84 -11.56 59.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.488 0.922 . . . . 70.03 113.488 -175.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' SER . . . . . . . . . . . . . 1.4 t 64.68 50.06 2.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.909 0.777 . . . . 54.01 112.057 169.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 10.1 p -89.54 -9.92 48.13 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.387 0.884 . . . . 48.61 113.387 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.53 170.64 17.0 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.592 -0.892 . . . . 43.08 108.592 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' THR . . . . . . . . . . . . . 2.6 p -95.11 166.51 11.89 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.506 1.123 . . . . 50.76 112.021 -170.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.48 -41.33 69.42 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.318 -0.855 . . . . 62.23 111.433 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' GLY . . . . . . . . . . . . . . . -54.71 -40.2 70.23 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 120.497 -0.859 . . . . 45.36 112.557 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' SER . . . . . . . . . . . . . 19.3 m -76.79 -36.21 57.13 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 122.204 -0.586 . . . . 41.17 111.438 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -57.49 -45.73 84.56 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.894 0.378 . . . . 55.07 111.153 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' THR . . . . . . . . . . . . . 36.7 m -57.4 -47.52 81.49 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.959 -0.463 . . . . 45.2 110.863 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.57 -44.63 95.98 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.633 -0.427 . . . . 46.44 111.426 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.43 -50.31 74.08 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.992 -0.683 . . . . 41.81 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.53 -35.34 80.17 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.638 -0.825 . . . . 39.29 111.233 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 48.8 m -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 118.926 -1.11 . . . . 36.17 110.927 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 198' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.3 -39.17 92.17 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.438 -0.905 . . . . 36.82 110.627 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.26 -42.07 93.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.409 -0.917 . . . . 34.88 111.236 179.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 200' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -64.77 -37.47 87.7 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.592 0.219 . . . . 42.47 111.592 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.54 -45.03 89.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.717 -0.793 . . . . 38.11 110.91 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.1 95.77 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 119.41 -0.916 . . . . 39.42 111.714 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 90.4 p -87.36 -3.24 59.02 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.702 1.001 . . . . 40.39 113.702 -172.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' B' ' 404' ' ' HOH . 45.6 mttp -113.62 -63.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.867 0.758 . . . . 42.39 111.751 174.076 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.08 -53.34 42.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 118.948 0.795 . . . . 43.26 110.819 173.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.52 61.54 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 119.604 -1.284 . . . . 40.87 112.141 -176.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -63.73 -35.36 80.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.33 -0.948 . . . . 43.05 111.278 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -52.19 -49.94 48.14 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.371 -0.919 . . . . 44.68 112.805 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -59.93 -45.42 92.65 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.329 -0.512 . . . . 64.01 111.356 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.06 -39.52 86.29 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.372 -0.531 . . . . 44.98 111.158 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' SER . . . . . . . . . . . . . 25.1 p -62.42 -41.22 98.53 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.323 -0.551 . . . . 45.58 110.805 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.13 -46.57 80.4 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.855 -0.338 . . . . 51.18 110.881 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -58.34 -36.88 74.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.504 -0.479 . . . . 64.15 111.017 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -41.66 96.72 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.92 -0.712 . . . . 51.27 111.541 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.55 -36.91 85.19 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 119.21 -0.996 . . . . 52.01 111.226 177.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -57.1 -45.17 83.61 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.5 0.19 . . . . 69.99 111.124 173.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' THR . . . . . . . . . . . . . 23.2 m -64.19 -45.15 89.58 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.244 -0.285 . . . . 61.92 111.637 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.09 -34.77 76.94 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.388 -0.525 . . . . 66.8 111.373 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -80.48 -27.35 37.83 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.257 -0.577 . . . . 74.44 112.348 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.18 -31.61 71.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.661 -0.815 . . . . 90.24 111.276 171.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' ALA . . . . . . . . . . . . . . . -70.78 -14.32 62.38 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.71 0.633 . . . . 75.97 112.71 -178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' THR . . . . . . . . . . . . . 45.3 p -90.74 -46.04 8.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 118.19 0.45 . . . . 83.21 112.056 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.957 0.408 . . . . 97.26 110.47 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' C14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' C14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' D10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . 0.672 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . 0.443 ' O ' ' NE2' ' A' ' 152' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 403' ' ' HOH . . . . . 0.547 ' O ' ' NE ' ' B' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 404' ' ' HOH . . . . . 0.426 ' O ' ' NZ ' ' B' ' 204' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 C--O 1.243 0.737 0 CA-C-O 120.977 0.418 . . . . 54.04 109.963 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 m -60.2 -49.88 75.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.665 -0.814 . . . . 39.47 110.61 173.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -61.89 -41.62 98.1 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.823 -0.751 . . . . 44.21 111.584 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.2 86.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 120.522 -0.471 . . . . 35.72 110.648 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -69.03 -29.11 67.2 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.424 -0.51 . . . . 41.2 112.335 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.77 -36.06 77.84 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 118.478 -1.289 . . . . 33.71 110.286 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -74.74 -29.02 61.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.632 -1.227 . . . . 37.13 111.59 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -63.27 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.389 -0.597 . . . . 36.95 109.389 171.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.68 -47.94 87.33 Favored Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.678 -0.772 . . . . 34.19 112.382 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.2 -49.82 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.373 0.606 . . . . 33.27 110.231 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.07 -46.34 59.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 120.943 0.401 . . . . 39.72 110.256 -170.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -59.09 -44.24 91.91 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.728 -0.389 . . . . 42.27 111.255 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.3 mmt -71.89 -38.71 69.94 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 120.285 -0.566 . . . . 38.13 111.056 -178.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.43 90.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 118.637 -1.225 . . . . 42.9 110.564 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.54 81.27 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.399 -0.52 . . . . 43.87 110.877 173.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.82 90.87 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 119.888 -1.149 . . . . 41.33 112.294 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -59.09 -46.5 88.14 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 122.442 -0.446 . . . . 42.36 110.894 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.19 -44.22 97.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.207 -0.451 . . . . 42.34 110.831 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.38 -49.92 67.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.37 -0.932 . . . . 53.09 111.361 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -66.89 -32.63 74.02 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 118.844 -1.142 . . . . 45.49 111.368 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.53 47.8 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 119.85 -1.167 . . . . 44.12 112.521 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -51.93 -44.68 64.0 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.359 -0.495 . . . . 55.14 111.746 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.77 93.42 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.051 -1.071 . . . . 45.32 112.552 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.26 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.646 -0.822 . . . . 47.11 110.878 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -66.2 -31.87 72.96 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.035 0.383 . . . . 69.23 112.035 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -99.19 10.87 40.59 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 113.672 0.989 . . . . 60.99 113.672 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.53 145.26 52.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.017 0.913 . . . . 60.07 111.752 -169.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.94 -55.59 21.43 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.728 -1.123 . . . . 77.16 110.751 -176.027 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -136.45 -172.03 3.05 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.101 -1.074 . . . . 59.33 108.101 -174.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.46 -33.85 76.63 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.102 -0.639 . . . . 58.64 111.899 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -67.7 -42.28 82.27 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.132 -0.627 . . . . 67.02 111.139 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -66.98 -37.69 84.69 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.413 -0.915 . . . . 51.35 110.769 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -63.42 -38.28 90.52 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.875 -0.33 . . . . 62.56 111.322 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.96 -48.74 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 119.155 -1.018 . . . . 42.88 109.849 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.86 -35.53 74.77 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.5 -0.88 . . . . 43.5 111.568 -173.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -68.96 -39.08 79.67 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.504 -0.878 . . . . 47.57 111.145 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 m -63.15 -42.92 99.53 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.661 -0.415 . . . . 41.09 110.898 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 mt -54.0 -54.97 31.69 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.733 -0.787 . . . . 39.08 110.445 175.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.31 -27.65 65.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.229 -0.588 . . . . 40.46 112.375 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.65 -44.12 97.57 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.775 -1.17 . . . . 36.77 111.02 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CD2' H101 ' A' ' 304' ' ' C14 . 21.8 m-85 -75.19 -34.34 61.51 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.809 -0.757 . . . . 35.99 111.011 -175.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.7 mt -53.89 -48.47 62.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.371 0.605 . . . . 35.16 110.06 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -75.89 -35.98 59.64 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.815 -0.553 . . . . 36.43 111.924 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.83 -42.36 99.7 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.021 -0.672 . . . . 41.43 111.114 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 mt -61.76 -49.01 86.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-O 121.228 0.537 . . . . 36.22 109.897 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.74 72.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.134 -0.626 . . . . 33.83 111.75 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.01 89.05 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.877 -0.729 . . . . 34.24 110.742 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.07 97.66 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.23 -0.986 . . . . 30.64 112.238 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.6 tp -50.79 -55.31 17.43 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.017 0.437 . . . . 32.75 111.254 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -68.8 -33.99 74.77 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.84 -0.744 . . . . 34.79 111.197 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -60.29 -43.26 96.41 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.227 -0.989 . . . . 33.88 110.567 173.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.13 74.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.514 -0.875 . . . . 32.29 110.839 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.41 -42.06 98.14 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.57 -0.287 . . . . 34.63 111.603 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.97 74.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.19 -0.604 . . . . 36.61 111.261 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.31 9.1 24.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.574 0.583 . . . . 37.11 112.574 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.17 20.17 61.26 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.678 -1.249 . . . . 36.77 115.302 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.39 155.32 18.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.767 1.284 . . . . 39.88 110.868 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 67.82 26.71 73.78 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.322 -0.853 . . . . 35.13 114.732 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -135.73 125.9 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.906 -1.146 . . . . 40.35 107.906 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -135.95 158.62 43.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.162 -1.051 . . . . 39.67 108.162 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.37 113.21 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.421 -1.326 . . . . 42.84 107.421 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.75 127.15 68.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 107.105 -1.443 . . . . 46.59 107.105 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 401' ' ' HOH . 88.9 m-20 57.07 42.43 25.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.164 0.507 . . . . 52.04 110.576 -176.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.62 2.92 57.3 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 116.582 1.393 . . . . 43.51 116.582 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -126.02 140.09 36.0 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 119.711 1.755 . . . . 65.5 109.951 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -59.84 126.84 21.54 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 N-CA-C 108.947 -1.213 . . . . 44.32 108.947 165.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -131.48 122.48 26.27 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.213 -0.449 . . . . 41.3 110.222 -169.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -85.33 69.5 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.437 1.113 . . . . 39.65 109.892 -174.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -63.09 -21.59 66.28 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.936 -1.029 . . . . 38.32 113.051 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . 0.424 ' HB ' ' HA3' ' A' ' 58' ' ' GLY . 11.4 p -61.58 -23.79 31.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 CA-C-N 118.499 0.591 . . . . 34.65 112.386 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -50.99 -37.1 42.82 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.858 -0.737 . . . . 39.3 111.436 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -69.2 -33.97 74.18 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 119.981 -0.688 . . . . 36.04 111.666 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.17 -49.27 84.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.424 -0.51 . . . . 34.11 110.5 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.6 p -80.88 -38.99 27.13 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.696 -0.802 . . . . 34.15 111.615 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . 0.404 ' CD1' ' H14' ' A' ' 301' ' ' RET . 33.4 m0 -52.21 -38.76 58.89 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.554 -0.458 . . . . 35.43 111.178 171.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.93 -29.35 67.04 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.486 -0.486 . . . . 33.79 111.804 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.7 -36.57 12.86 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 113.123 0.786 . . . . 42.99 113.123 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 p -87.21 -36.4 18.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.833 0.679 . . . . 33.72 112.833 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 55.6 p -69.21 -34.56 5.03 Favored Pre-proline 0 C--O 1.239 0.538 0 C-N-CA 118.693 -1.203 . . . . 35.81 113.413 -176.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' THR . 14.0 Cg_endo -60.31 -32.25 93.92 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 CA-C-N 121.093 1.426 . . . . 35.43 112.557 171.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.76 -36.55 78.48 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.1 -0.64 . . . . 36.29 111.21 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 85' ' ' ASP . 25.0 mt -60.12 -47.67 84.93 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.337 -0.545 . . . . 39.99 110.979 172.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.65 -31.22 71.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.786 -0.765 . . . . 37.92 111.057 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.61 -29.72 66.18 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.428 -0.909 . . . . 39.35 111.434 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 48.1 m-20 -50.49 -47.24 57.26 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.398 -0.921 . . . . 38.67 110.138 169.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 162' ' ' LEU . 21.5 mt -68.46 -45.62 71.97 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.376 -0.374 . . . . 43.94 111.703 -176.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 p -75.89 -26.76 57.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.037 -0.665 . . . . 42.64 112.227 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.77 -45.37 75.06 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.091 -0.644 . . . . 48.76 110.991 172.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.87 -39.34 79.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.735 -0.786 . . . . 44.89 111.292 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.14 -13.25 83.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.65 -1.262 . . . . 46.51 114.536 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 52.19 49.83 19.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.608 1.194 . . . . 83.62 110.383 -169.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' THR . . . . . 0.434 ' O ' ' H2 ' ' A' ' 306' ' ' BOG . 24.0 m -68.6 147.62 51.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.482 -1.235 . . . . 43.35 111.749 -176.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.0 p -63.75 163.76 11.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.214 1.007 . . . . 44.91 111.644 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.06 -54.34 56.33 Favored Pre-proline 0 C--O 1.242 0.71 0 CA-C-N 114.927 -1.033 . . . . 47.76 113.427 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.21 -34.65 67.51 Favored 'Trans proline' 0 C--O 1.237 0.427 0 CA-C-N 120.882 1.351 . . . . 47.22 113.134 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.5 -36.29 71.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.358 -0.537 . . . . 45.17 110.859 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 94.9 m -64.59 -44.63 90.04 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.566 -0.454 . . . . 42.43 111.049 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.46 -38.09 95.32 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 119.771 -1.204 . . . . 37.81 112.754 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -60.25 -44.32 95.38 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 122.099 -0.647 . . . . 45.79 111.375 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.74 -45.66 93.43 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.076 -0.649 . . . . 39.21 110.541 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.42 -42.65 82.86 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.212 -0.449 . . . . 43.52 110.948 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.61 63.12 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.639 -1.267 . . . . 35.24 112.672 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.2 -40.52 77.6 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 122.467 -0.431 . . . . 36.14 111.328 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -63.09 -47.31 83.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.71 0.29 . . . . 36.32 111.355 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.92 98.05 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 122.366 -0.209 . . . . 31.58 111.373 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -57.46 -45.85 84.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 120.813 0.339 . . . . 37.42 110.898 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 53.3 ttp -55.81 -44.6 78.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.923 0.392 . . . . 38.49 111.559 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.71 -39.42 64.35 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 118.644 -1.222 . . . . 34.56 111.398 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.49 -46.75 88.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 119.383 -0.927 . . . . 34.56 110.303 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -71.38 -30.2 65.85 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 118.394 -1.322 . . . . 33.76 111.242 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.09 -38.72 96.38 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 119.843 -1.17 . . . . 34.34 112.404 169.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.4 -42.45 98.75 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 118.687 -1.205 . . . . 35.94 110.606 174.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.0 -42.45 93.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 119.869 -0.732 . . . . 33.83 110.484 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.98 73.66 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 121.912 -0.492 . . . . 34.63 111.658 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.7 m -77.38 -29.06 53.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.126 0.417 . . . . 39.56 112.126 -173.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 m -101.04 -2.39 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 113.217 0.821 . . . . 36.99 113.217 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.9 p -99.45 156.24 35.63 Favored Pre-proline 0 C--N 1.347 0.473 0 CA-C-N 119.442 1.019 . . . . 40.18 111.09 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -78.67 158.39 28.33 Favored 'Trans proline' 0 C--N 1.33 -0.442 0 CA-C-O 122.089 0.787 . . . . 43.09 111.938 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -70.87 144.79 91.04 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.957 -1.02 . . . . 58.58 110.011 170.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -92.15 -5.12 45.7 Favored 'Cis proline' 0 C--N 1.345 0.368 0 N-CA-C 115.232 1.205 . . . . 46.81 115.232 4.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -58.9 -32.83 69.87 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.839 -0.744 . . . . 59.9 111.863 -177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.1 p -54.47 -34.7 62.02 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.17 0.434 . . . . 40.4 112.17 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -62.42 -33.9 75.7 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 112.591 0.589 . . . . 60.61 112.591 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.49 -47.69 89.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.606 0.717 . . . . 40.49 110.138 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -70.67 -34.91 72.51 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.917 -0.713 . . . . 35.44 111.47 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -56.21 -44.08 79.16 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.85 0.357 . . . . 42.19 111.137 173.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.6 -43.17 94.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 116.619 -0.264 . . . . 45.38 110.658 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.17 -45.16 99.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.389 0.614 . . . . 38.76 110.478 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 t -61.16 -43.78 98.34 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 121.602 -0.686 . . . . 38.04 111.642 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 65.4 m -61.75 -39.13 90.5 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 120.373 -0.531 . . . . 40.31 111.479 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.45 92.17 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.679 -0.409 . . . . 40.08 111.067 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.05 83.77 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.618 -0.433 . . . . 39.43 111.322 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.74 -40.97 96.21 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.019 -1.073 . . . . 41.79 111.377 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.75 -34.71 78.5 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.477 -0.889 . . . . 48.55 111.07 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.7 90.69 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.217 -0.593 . . . . 40.17 111.254 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.87 -47.4 89.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.535 -0.466 . . . . 39.67 110.43 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' VAL . . . . . 0.484 HG13 HD13 ' A' ' 167' ' ' LEU . 93.1 t -56.37 -46.67 81.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.831 0.348 . . . . 45.5 110.437 179.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -64.28 -44.27 92.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.066 -1.053 . . . . 59.1 111.419 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.17 -40.81 97.27 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.427 -0.509 . . . . 46.37 111.399 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 144' ' ' TYR . 61.4 mt -72.15 -43.43 64.66 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.424 -0.51 . . . . 44.16 111.132 179.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.38 -22.32 54.93 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 113.025 0.75 . . . . 49.52 113.025 -172.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -116.57 -85.23 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.469 0 CA-C-O 117.612 -1.185 . . . . 54.42 110.358 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -61.55 -37.06 72.99 Favored 'Trans proline' 0 C--N 1.353 0.799 0 CA-C-N 122.552 1.947 . . . . 47.7 114.397 -171.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' A' ' 140' ' ' LEU . 26.2 t80 -65.22 -46.54 80.24 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 118.25 -1.38 . . . . 47.39 110.924 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -67.85 -44.92 76.02 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.582 0.23 . . . . 61.76 111.085 -175.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 30.1 mt -60.28 -49.42 84.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 120.999 0.428 . . . . 58.55 110.613 -177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.32 90.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.107 -0.637 . . . . 51.7 111.268 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.43 78.04 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.861 -0.735 . . . . 49.8 110.713 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -69.72 -40.12 76.41 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.833 -0.347 . . . . 66.4 111.449 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -59.61 -36.28 76.01 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.547 -0.861 . . . . 73.55 111.164 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -83.11 -19.8 36.05 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 113.202 0.815 . . . . 58.05 113.202 -178.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 402' ' ' HOH . 62.8 m80 -124.4 62.66 32.16 Favored Pre-proline 0 C--O 1.236 0.389 0 CA-C-N 118.853 0.751 . . . . 53.76 109.627 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.31 -28.4 62.37 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 120.552 0.835 . . . . 54.97 114.201 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -85.58 -12.45 51.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.25 0.833 . . . . 88.54 113.25 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 73.5 m -118.89 25.88 9.91 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.839 0.745 . . . . 58.11 112.641 -172.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -53.39 -36.04 61.01 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.102 0.408 . . . . 71.74 112.102 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.48 -32.4 71.28 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.344 -0.942 . . . . 62.08 111.689 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -55.25 -46.42 76.04 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.208 0.528 . . . . 49.08 110.911 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -73.0 -37.4 67.0 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.687 -0.405 . . . . 49.35 111.705 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -56.98 -40.13 75.94 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.453 -0.499 . . . . 68.94 111.287 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.3 m -68.81 -46.07 69.61 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.104 -0.373 . . . . 50.92 111.24 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 86' ' ' LEU . 1.8 mt -51.08 -52.41 43.71 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 51.18 111.61 176.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.06 -39.83 84.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 120.826 0.346 . . . . 49.12 110.64 -177.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.6 m -60.56 -51.59 68.79 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.816 -0.552 . . . . 45.53 111.435 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.87 -43.05 94.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 119.624 -0.83 . . . . 45.1 110.403 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.62 -53.83 51.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.247 -0.581 . . . . 47.28 111.458 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' LEU . . . . . 0.484 HD13 HG13 ' A' ' 137' ' ' VAL . 53.1 mt -72.42 -29.22 63.52 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.509 -0.877 . . . . 52.0 112.195 -174.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.91 -48.8 86.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 119.25 -0.98 . . . . 41.34 109.931 174.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 54.6 mt -66.6 -46.8 74.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.845 -0.534 . . . . 40.98 111.631 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -70.79 -32.22 69.24 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.376 -1.33 . . . . 40.49 111.431 -173.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 36.2 m -63.28 -26.66 68.88 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.705 -0.798 . . . . 38.78 111.576 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.11 -22.96 62.97 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 118.827 -1.149 . . . . 45.66 112.241 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.43 -52.92 62.37 Favored Pre-proline 0 C--O 1.25 1.128 0 CA-C-O 118.27 -0.871 . . . . 37.21 113.032 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.56 -22.83 43.94 Favored 'Trans proline' 0 CA--C 1.511 -0.663 0 CA-C-N 121.982 1.743 . . . . 38.95 113.1 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.2 -46.54 77.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.861 0.362 . . . . 38.63 110.104 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.69 -47.37 82.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.099 0.476 . . . . 41.33 110.454 174.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -57.8 -52.82 63.91 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 122.147 -0.345 . . . . 39.55 111.72 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 7.4 tp -67.94 -29.37 44.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 120.804 -0.358 . . . . 47.37 111.742 -174.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 79.5 mt -84.62 -18.56 35.07 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.348 -0.845 . . . . 48.3 112.835 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.8 p -70.15 178.13 1.15 Allowed Pre-proline 0 C--O 1.241 0.656 0 C-N-CA 126.309 1.844 . . . . 45.85 109.772 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.01 -12.33 22.21 Favored 'Trans proline' 0 C--O 1.241 0.662 0 CA-C-N 119.996 1.034 . . . . 52.38 114.244 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.4 -25.08 67.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 119.4 1.0 . . . . 53.93 111.109 172.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -124.56 -100.57 1.34 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 113.782 0.273 . . . . 54.42 113.782 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -88.21 -4.1 58.77 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.849 1.055 . . . . 65.96 113.849 -170.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 15.8 m 52.29 50.0 19.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 118.861 0.755 . . . . 58.98 112.367 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 8.8 p -87.37 -4.82 59.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.423 0.897 . . . . 55.06 113.423 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.23 168.15 28.02 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.209 0.913 . . . . 48.55 108.751 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 46.9 p -84.67 167.4 16.23 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.723 1.209 . . . . 55.55 111.8 -172.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -56.44 -36.21 68.75 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 114.948 -1.024 . . . . 56.27 111.496 173.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -58.9 -47.75 89.04 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 120.206 -0.997 . . . . 44.04 112.12 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 74.7 m -68.72 -40.65 79.82 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 120.415 -0.514 . . . . 47.9 111.086 177.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.44 -48.18 69.02 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.85 0.357 . . . . 55.95 110.86 174.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.0 m -58.22 -43.48 87.7 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 120.376 -0.53 . . . . 41.94 110.983 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.12 -44.23 95.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.473 -0.491 . . . . 44.75 110.937 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.58 -45.35 79.54 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.797 -0.761 . . . . 45.46 111.57 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -65.35 -34.67 78.86 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.932 -0.707 . . . . 41.07 110.922 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.0 m -69.66 -43.89 71.64 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.347 -0.541 . . . . 37.98 111.3 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.29 -48.2 81.24 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.914 -0.714 . . . . 39.89 111.313 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.78 -49.69 76.47 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.427 -0.509 . . . . 37.2 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.95 -42.15 79.57 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.921 -0.712 . . . . 43.67 111.061 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.08 -41.57 87.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 118.979 -1.088 . . . . 39.95 110.256 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.82 82.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.647 -0.821 . . . . 38.38 111.705 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 97.5 p -87.35 -9.68 54.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.573 -0.851 . . . . 44.64 112.304 -170.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -113.06 -64.92 1.24 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.776 0.43 . . . . 40.32 110.481 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.13 -53.26 30.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 118.998 0.817 . . . . 43.4 110.288 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -57.32 -57.73 18.26 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.013 -0.613 . . . . 41.58 113.637 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.65 -35.02 75.17 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.324 -0.55 . . . . 42.2 111.58 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -57.19 -42.7 93.47 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.202 -0.999 . . . . 42.32 112.968 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.8 -44.26 81.72 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.069 -0.652 . . . . 53.13 111.475 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 25.6 tp -53.46 -45.05 69.4 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.923 0.392 . . . . 43.42 111.503 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 18.8 p -60.81 -40.66 93.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 118.674 -1.21 . . . . 43.1 110.885 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.65 -45.07 88.33 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.864 -0.734 . . . . 47.95 111.324 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.73 -36.62 81.49 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.465 -0.494 . . . . 65.76 111.079 176.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' THR . . . . . 0.441 ' O ' ' HG ' ' A' ' 218' ' ' LEU . 52.5 m -61.91 -38.63 89.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.308 -0.557 . . . . 48.91 110.747 178.065 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.05 -41.61 86.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.446 -0.902 . . . . 52.14 110.929 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -57.52 -44.64 85.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.088 -0.645 . . . . 74.64 111.286 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 59.6 m -61.0 -38.17 85.11 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.538 -0.465 . . . . 58.71 111.788 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 214' ' ' THR . 70.3 mt -66.81 -38.81 87.2 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.284 -0.566 . . . . 59.02 111.321 178.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -67.99 -41.21 82.63 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.33 -0.548 . . . . 66.79 111.321 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -67.04 -27.74 67.64 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.036 0.384 . . . . 82.95 112.036 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 221' ' ' ALA . . . . . . . . . . . . . . . -76.28 -0.68 23.29 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.055 0.761 . . . . 75.9 113.055 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 1.4 m -136.18 40.94 2.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.619 0.645 . . . . 85.67 110.565 173.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 223' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.195 0.521 . . . . 95.56 110.301 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.357 0.599 . . . . 67.06 111.259 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -57.67 -46.7 83.93 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.578 -0.737 . . . . 49.25 110.555 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -63.62 -43.77 95.88 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 122.062 -0.399 . . . . 49.03 111.658 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.07 -0.652 . . . . 42.43 111.226 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' TRP . . . . . 0.483 ' CE2' ' HG3' ' B' ' 194' ' ' MET . 79.8 m95 -69.16 -31.14 69.59 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.477 -0.889 . . . . 44.62 111.42 -179.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.05 -42.3 97.08 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.659 -0.816 . . . . 38.89 110.769 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -67.02 -35.47 79.98 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.45 -0.9 . . . . 46.29 111.319 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -61.83 -37.75 78.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.142 -0.623 . . . . 41.47 110.174 174.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.78 -49.1 82.38 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.2 -1.0 . . . . 36.99 112.51 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 77.6 t -53.48 -52.4 33.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 O-C-N 121.939 -0.742 . . . . 40.47 110.13 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.34 -47.22 94.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.236 0.541 . . . . 45.19 110.759 -176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -64.7 -44.19 91.07 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.414 -0.914 . . . . 42.92 111.285 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mmt -68.59 -35.02 76.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.548 -0.861 . . . . 42.38 110.756 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.94 99.62 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.235 -0.586 . . . . 45.95 111.307 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.92 -47.24 75.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.717 -0.393 . . . . 50.82 111.253 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.79 63.28 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.091 -1.052 . . . . 46.97 112.46 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -51.9 -46.95 64.77 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 122.383 -0.481 . . . . 49.24 111.483 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.97 -46.51 88.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.144 0.497 . . . . 53.55 110.166 -176.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.21 -55.83 28.33 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.622 -0.831 . . . . 64.23 111.38 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -66.46 -34.83 78.82 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.449 -0.9 . . . . 50.87 111.193 -176.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.64 -37.57 92.59 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 119.748 -1.215 . . . . 51.37 112.413 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.79 -49.69 75.33 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 69.35 111.032 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.98 -37.59 58.55 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.42 -0.895 . . . . 60.16 112.879 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.49 94.16 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.92 -0.712 . . . . 60.48 110.966 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -71.65 -35.52 70.38 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.993 -0.283 . . . . 73.18 111.7 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -95.01 2.65 55.35 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.603 0.964 . . . . 73.58 113.603 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 152.8 7.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.515 0.674 . . . . 73.43 111.489 -165.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -80.64 -27.16 37.29 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.369 -0.832 . . . . 80.47 113.044 -172.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASN . . . . . 0.486 ' ND2' ' HD1' ' B' ' 32' ' ' TRP . 2.6 p30 -161.94 -172.79 3.4 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.329 -0.989 . . . . 72.3 108.329 175.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.72 -30.43 69.92 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.832 -0.747 . . . . 77.09 112.266 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -64.55 -43.44 93.94 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.157 -0.617 . . . . 83.12 110.87 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' TRP . . . . . 0.486 ' HD1' ' ND2' ' B' ' 29' ' ' ASN . 87.8 m95 -71.15 -34.54 71.08 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.856 -0.337 . . . . 59.78 111.507 179.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.12 -50.76 68.43 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.602 -0.439 . . . . 70.56 110.778 172.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.35 -48.15 88.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.202 0.525 . . . . 51.37 110.386 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -70.4 -43.09 70.73 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.132 -0.627 . . . . 51.97 111.806 -172.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -61.29 -42.17 98.2 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.109 -0.636 . . . . 54.55 111.374 173.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 60.9 m -66.25 -40.71 90.36 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.497 -0.481 . . . . 45.91 111.095 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.68 -50.19 68.84 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.958 0.409 . . . . 43.49 110.961 174.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -75.62 -26.05 57.44 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.305 -0.558 . . . . 45.31 112.093 -176.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -60.04 -52.36 65.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 119.567 -0.853 . . . . 42.09 110.543 172.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.79 -37.85 87.41 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.058 -1.057 . . . . 41.71 110.871 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mt -54.43 -48.48 69.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-O 121.166 0.508 . . . . 36.07 109.942 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -73.22 -36.02 66.41 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 120.592 -0.443 . . . . 40.48 111.707 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.82 -44.42 96.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.505 -0.478 . . . . 41.35 111.104 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.38 -47.78 83.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-O 121.501 0.667 . . . . 37.65 109.812 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.9 71.5 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.323 -0.551 . . . . 35.87 111.613 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.55 93.78 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.076 -1.05 . . . . 38.24 110.551 176.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.3 91.05 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 119.437 -1.363 . . . . 35.4 112.241 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 31.5 tp -51.96 -52.05 53.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 122.409 -0.466 . . . . 33.77 110.776 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -72.11 -33.64 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 119.88 -0.728 . . . . 35.11 111.234 -172.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.83 -44.58 96.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.389 -0.524 . . . . 36.46 110.888 172.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -52.58 64.76 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.26 -0.576 . . . . 34.22 110.896 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.86 -45.32 86.57 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.272 -0.571 . . . . 35.95 111.465 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.66 69.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 119.762 -0.775 . . . . 41.23 111.703 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 2.87 34.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 118.13 -0.938 . . . . 43.12 113.285 177.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.09 59.05 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 115.677 1.031 . . . . 37.38 115.677 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.61 154.75 18.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.485 1.142 . . . . 38.47 110.819 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.67 23.31 78.13 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.768 -1.206 . . . . 38.39 113.87 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.48 130.42 56.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.886 -1.153 . . . . 41.6 107.886 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -137.93 156.83 47.47 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.644 -0.873 . . . . 44.57 108.644 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -77.82 113.19 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 107.895 -1.15 . . . . 41.26 107.895 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.9 mt -127.34 129.85 70.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.933 -1.136 . . . . 46.88 107.933 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 48.07 39.69 11.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.436 0.636 . . . . 53.48 111.103 -170.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.13 16.33 80.77 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 115.838 1.095 . . . . 44.21 115.838 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -138.36 135.57 18.39 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 118.385 1.092 . . . . 68.98 110.295 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.58 116.71 3.17 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 120.829 1.02 . . . . 44.39 111.897 168.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -123.72 119.87 31.04 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.786 -0.45 . . . . 41.08 109.786 -174.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -82.53 70.53 9.52 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 122.703 1.24 . . . . 41.53 109.229 -177.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -60.98 -22.87 64.9 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.671 -1.149 . . . . 41.41 112.719 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.06 -21.61 24.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 118.502 0.592 . . . . 34.09 112.169 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -53.34 -35.51 60.32 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.166 -1.014 . . . . 38.26 110.918 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -72.56 -31.83 65.56 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.262 -0.975 . . . . 35.47 111.237 -177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.95 -49.95 77.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.36 -0.536 . . . . 33.73 110.315 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -77.01 -33.86 57.47 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 119.721 -0.792 . . . . 37.04 112.185 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -59.16 -34.0 71.58 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.808 -1.157 . . . . 35.08 110.69 174.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.96 -27.41 68.83 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.573 -0.451 . . . . 39.32 111.327 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.87 -40.1 10.81 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.953 0.901 . . . . 43.53 113.026 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 55.1 p -79.35 -41.76 27.16 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 112.913 0.708 . . . . 36.43 112.913 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 57.5 p -66.26 -36.06 11.96 Favored Pre-proline 0 C--O 1.242 0.67 0 CA-C-O 117.666 -1.159 . . . . 34.84 113.856 -174.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.99 -38.03 97.03 Favored 'Trans proline' 0 C--N 1.349 0.567 0 CA-C-N 121.757 1.663 . . . . 37.03 112.736 170.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -66.16 -37.42 85.59 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.63 -0.428 . . . . 36.99 111.14 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.66 -41.85 98.1 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.659 -0.816 . . . . 38.95 110.56 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.86 -33.91 75.05 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.772 -0.771 . . . . 40.01 111.237 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.54 -28.68 65.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.545 -0.862 . . . . 42.3 112.352 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -51.25 -45.73 62.12 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 119.033 0.833 . . . . 45.99 110.237 169.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' B' ' 166' ' ' HIS . 3.3 mt -71.8 -44.14 64.47 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.419 . . . . 44.26 111.341 -175.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 81.4 p -74.99 -31.09 61.35 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.794 -1.163 . . . . 45.71 111.27 -174.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.86 -52.57 62.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.71 -0.396 . . . . 50.32 111.023 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.08 -39.59 82.62 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.206 -0.597 . . . . 48.64 110.801 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.48 -21.9 76.5 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 118.887 -0.952 . . . . 50.01 115.458 -177.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 55.42 47.37 21.33 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.579 1.189 . . . . 81.9 110.172 -165.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -67.39 149.23 50.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.964 -1.016 . . . . 49.36 111.193 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -70.77 161.88 30.12 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 122.065 0.936 . . . . 56.35 111.611 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.94 -51.72 77.36 Favored Pre-proline 0 C--O 1.24 0.577 0 CA-C-N 114.75 -1.114 . . . . 55.13 112.912 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -60.58 -33.84 93.14 Favored 'Trans proline' 0 C--O 1.24 0.615 0 CA-C-N 121.466 1.559 . . . . 54.02 113.355 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.52 -42.58 61.57 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.266 -0.973 . . . . 49.88 111.031 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 91.5 m -59.39 -44.65 92.74 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.985 -0.286 . . . . 48.86 111.376 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.16 94.81 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 119.842 -1.17 . . . . 43.1 112.212 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 4.2 m -62.16 -42.15 98.99 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.5 -0.412 . . . . 44.35 111.494 177.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.22 -47.91 82.32 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.942 0.401 . . . . 42.69 110.798 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.95 -41.54 86.76 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 116.589 -0.278 . . . . 44.3 111.374 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.03 94.87 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.046 -1.073 . . . . 37.01 112.435 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.05 96.54 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 122.261 -0.552 . . . . 36.52 110.712 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -60.22 -47.46 85.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.895 0.378 . . . . 35.03 111.488 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.64 94.03 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.903 -0.719 . . . . 35.98 110.621 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.62 -45.84 81.29 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 120.842 0.353 . . . . 38.99 111.027 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.28 -46.98 76.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.713 0.292 . . . . 38.85 111.528 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.51 -42.66 67.72 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.833 -0.747 . . . . 37.59 111.847 -174.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.65 -47.33 91.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 119.969 -0.692 . . . . 33.25 110.44 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 69.9 p -73.5 -28.8 62.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 118.209 -1.397 . . . . 33.39 110.892 -176.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.78 -38.55 93.15 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 120.807 -0.711 . . . . 32.56 112.236 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.58 -44.54 81.14 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.35 -0.54 . . . . 35.21 111.162 168.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.86 -42.05 94.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 119.761 -0.775 . . . . 32.61 110.301 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.67 72.87 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.634 -0.427 . . . . 36.42 111.34 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 79.8 m -73.95 -29.84 62.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.323 0.49 . . . . 37.61 112.323 -174.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.55 3.13 10.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 113.472 0.915 . . . . 37.15 113.472 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 22.7 p -103.55 155.05 37.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 119.042 0.837 . . . . 41.63 111.329 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -76.49 162.61 33.11 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-O 122.161 0.817 . . . . 42.98 111.914 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 183' ' ' GLY . 67.4 mttt -80.28 148.49 67.13 Favored Pre-proline 0 C--N 1.343 0.306 0 CA-C-N 114.986 -1.006 . . . . 50.53 110.255 170.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -88.08 1.07 68.16 Favored 'Cis proline' 0 C--O 1.237 0.453 0 N-CA-C 114.914 1.082 . . . . 42.82 114.914 4.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.72 -34.82 78.69 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.577 -0.849 . . . . 62.77 111.286 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 p -52.71 -30.1 30.4 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.243 -0.583 . . . . 41.98 112.093 174.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -68.97 -32.68 72.44 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 119.931 -0.708 . . . . 56.98 112.067 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 60.5 mt -57.02 -50.95 74.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.567 0.699 . . . . 41.09 110.116 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -68.54 -32.22 72.0 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.073 -0.651 . . . . 36.72 111.461 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.8 -45.43 92.35 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.39 -0.524 . . . . 38.61 110.841 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.69 -45.24 97.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.007 0.432 . . . . 45.39 110.413 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.88 -48.02 78.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.135 -0.626 . . . . 37.7 110.401 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 9.6 t -60.57 -43.69 97.02 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.97 -0.456 . . . . 34.06 111.724 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 58.0 m -61.38 -41.23 96.77 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.951 -0.7 . . . . 38.58 111.543 176.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.5 -49.17 70.8 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.595 -0.842 . . . . 39.79 110.719 174.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.46 85.8 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.414 -0.914 . . . . 38.0 110.77 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.29 -38.46 91.12 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.42 -0.912 . . . . 39.92 111.886 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.54 -34.73 77.51 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.549 -0.719 . . . . 46.8 111.76 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.36 84.0 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 119.994 -0.682 . . . . 41.12 111.287 171.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.84 -40.7 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.185 -0.606 . . . . 41.83 110.225 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.2 -50.72 75.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.193 0.52 . . . . 45.82 110.33 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -59.29 -49.5 77.57 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 120.136 -0.626 . . . . 67.95 111.159 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' LEU . . . . . 0.419 ' HA ' ' HD2' ' B' ' 143' ' ' PRO . 71.1 mt -59.62 -38.6 81.73 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.398 -0.521 . . . . 46.57 111.387 -176.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 144' ' ' TYR . 46.2 mt -79.7 -36.89 36.83 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.155 -1.018 . . . . 45.26 111.509 -177.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -78.38 -24.85 46.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.673 0.99 . . . . 51.12 113.673 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' GLN . . . . . 0.622 ' HB2' ' HD3' ' B' ' 143' ' ' PRO . 94.8 mm-40 -116.25 -83.09 0.0 OUTLIER Pre-proline 0 C--O 1.237 0.396 0 C-N-CA 118.137 -1.425 . . . . 63.51 110.571 179.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 143' ' ' PRO . . . . . 0.622 ' HD3' ' HB2' ' B' ' 142' ' ' GLN . 22.8 Cg_exo -54.86 -46.11 35.8 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 CA-C-N 122.093 1.783 . . . . 50.73 114.238 -172.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 144' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' B' ' 140' ' ' LEU . 25.9 t80 -63.27 -50.41 70.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 119.884 -0.726 . . . . 49.82 111.208 -175.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -65.71 -36.56 83.97 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 120.739 0.304 . . . . 62.14 111.011 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 56.3 mt -66.88 -49.19 76.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.029 -0.668 . . . . 57.4 110.299 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.97 95.58 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.974 -0.69 . . . . 51.75 111.152 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.61 96.79 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 118.988 -1.085 . . . . 51.14 110.902 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' GLU . . . . . 0.409 ' OE2' ' NE ' ' B' ' 160' ' ' ARG . 76.0 mt-10 -65.89 -39.61 90.8 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.841 -0.344 . . . . 65.97 111.449 177.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -68.22 -25.15 65.06 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 112.443 0.535 . . . . 73.8 112.443 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -88.01 -16.41 33.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.419 0.896 . . . . 58.48 113.419 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.54 72.08 74.77 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 108.809 -0.812 . . . . 62.74 108.809 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -61.65 -29.14 83.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 N-CA-C 113.558 0.561 . . . . 64.6 113.558 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -81.89 5.41 19.03 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.284 0.846 . . . . 85.47 113.284 179.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' SER . . . . . . . . . . . . . 68.3 m -139.6 37.82 2.03 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.898 0.772 . . . . 59.84 110.821 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -53.82 -45.48 70.84 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.161 -0.616 . . . . 74.69 111.393 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.25 -37.17 84.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.091 -0.644 . . . . 66.74 111.471 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.4 86.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.631 -0.428 . . . . 48.3 111.064 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -75.62 -35.39 60.52 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.431 0.53 . . . . 52.57 112.431 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' ARG . . . . . 0.409 ' NE ' ' OE2' ' B' ' 149' ' ' GLU . 81.8 mtt180 -62.64 -41.27 98.94 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.983 -0.687 . . . . 68.0 110.684 175.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 161' ' ' THR . . . . . . . . . . . . . 21.1 m -65.62 -44.78 85.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.907 0.384 . . . . 50.04 111.328 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.13 -44.68 96.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.902 0.382 . . . . 49.42 111.608 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' VAL . . . . . . . . . . . . . 45.5 t -69.29 -42.27 81.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 120.27 -0.572 . . . . 46.26 110.242 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' THR . . . . . . . . . . . . . 86.9 m -61.04 -47.92 84.15 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.967 -0.293 . . . . 43.23 111.364 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.16 -43.95 90.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 120.026 -0.67 . . . . 40.08 110.5 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 166' ' ' HIS . . . . . 0.469 ' CD2' HD11 ' B' ' 86' ' ' LEU . 52.0 t-80 -57.24 -49.73 75.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.048 0.451 . . . . 46.01 110.852 -179.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 167' ' ' LEU . . . . . 0.476 ' O ' ' OG1' ' B' ' 171' ' ' THR . 83.6 mt -70.03 -34.3 73.09 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 120.626 -0.43 . . . . 39.46 111.5 -175.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 168' ' ' VAL . . . . . . . . . . . . . 11.8 t -61.99 -49.48 83.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.372 0.606 . . . . 37.4 110.023 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 169' ' ' LEU . 32.3 mt -65.78 -47.81 73.9 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 120.874 0.368 . . . . 39.74 111.857 -177.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 170' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -67.98 -35.27 78.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.759 -0.776 . . . . 38.53 111.351 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 171' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 167' ' ' LEU . 27.3 m -62.8 -26.11 68.57 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.586 -0.846 . . . . 36.06 111.263 -177.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.38 -21.47 62.01 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.399 -0.81 . . . . 36.79 112.355 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 173' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -62.97 -54.65 44.74 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 119.671 -0.811 . . . . 34.41 112.448 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -23.66 72.53 Favored 'Trans proline' 0 C--O 1.239 0.562 0 CA-C-N 121.187 1.46 . . . . 36.29 113.062 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 175' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.68 -47.49 82.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.856 -0.738 . . . . 35.67 110.438 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 176' ' ' VAL . . . . . . . . . . . . . 89.3 t -58.42 -49.37 82.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.254 0.549 . . . . 36.84 110.592 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 177' ' ' TRP . . . . . 0.726 ' CE2' ' HG2' ' B' ' 182' ' ' GLU . 25.5 t90 -54.36 -53.24 56.62 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.803 -0.561 . . . . 39.62 111.308 -178.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 178' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' B' ' 178' ' ' ILE . 3.9 tp -67.93 -22.86 28.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 113.587 0.958 . . . . 42.58 113.587 -176.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 49.3 mt -92.86 -14.28 27.9 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.646 -1.284 . . . . 39.15 112.388 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 25.6 p -69.85 174.93 2.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 124.878 1.271 . . . . 40.74 110.696 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 181' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.51 -10.77 5.44 Favored 'Trans proline' 0 C--O 1.238 0.493 0 N-CA-C 113.346 0.479 . . . . 49.17 113.346 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 182' ' ' GLU . . . . . 0.726 ' HG2' ' CE2' ' B' ' 177' ' ' TRP . 5.5 tp10 -75.51 -18.6 59.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.897 0.703 . . . . 51.92 112.897 176.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 183' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 119' ' ' LYS . . . -129.19 -107.12 1.28 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.919 -0.472 . . . . 50.24 111.919 173.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 184' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -76.84 -11.56 59.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.488 0.922 . . . . 70.03 113.488 -175.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 185' ' ' SER . . . . . . . . . . . . . 1.4 t 64.68 50.06 2.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.909 0.777 . . . . 54.01 112.057 169.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 10.1 p -89.54 -9.92 48.13 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.387 0.884 . . . . 48.61 113.387 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 187' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.53 170.64 17.0 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.592 -0.892 . . . . 43.08 108.592 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 188' ' ' THR . . . . . . . . . . . . . 2.6 p -95.11 166.51 11.89 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.506 1.123 . . . . 50.76 112.021 -170.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 189' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.48 -41.33 69.42 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.318 -0.855 . . . . 62.23 111.433 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 190' ' ' GLY . . . . . . . . . . . . . . . -54.71 -40.2 70.23 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 120.497 -0.859 . . . . 45.36 112.557 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 191' ' ' SER . . . . . . . . . . . . . 19.3 m -76.79 -36.21 57.13 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 122.204 -0.586 . . . . 41.17 111.438 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -57.49 -45.73 84.56 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.894 0.378 . . . . 55.07 111.153 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 193' ' ' THR . . . . . . . . . . . . . 36.7 m -57.4 -47.52 81.49 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.959 -0.463 . . . . 45.2 110.863 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' MET . . . . . 0.483 ' HG3' ' CE2' ' B' ' 5' ' ' TRP . 56.8 ttp -60.57 -44.63 95.98 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.633 -0.427 . . . . 46.44 111.426 -179.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 195' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.43 -50.31 74.08 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.992 -0.683 . . . . 41.81 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 196' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.53 -35.34 80.17 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.638 -0.825 . . . . 39.29 111.233 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 48.8 m -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 118.926 -1.11 . . . . 36.17 110.927 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 198' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.3 -39.17 92.17 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.438 -0.905 . . . . 36.82 110.627 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.26 -42.07 93.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.409 -0.917 . . . . 34.88 111.236 179.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 200' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -64.77 -37.47 87.7 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.592 0.219 . . . . 42.47 111.592 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.54 -45.03 89.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.717 -0.793 . . . . 38.11 110.91 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.1 95.77 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 119.41 -0.916 . . . . 39.42 111.714 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 90.4 p -87.36 -3.24 59.02 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.702 1.001 . . . . 40.39 113.702 -172.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -113.62 -63.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.867 0.758 . . . . 42.39 111.751 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.08 -53.34 42.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 118.948 0.795 . . . . 43.26 110.819 173.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.52 61.54 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 119.604 -1.284 . . . . 40.87 112.141 -176.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 207' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -63.73 -35.36 80.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.33 -0.948 . . . . 43.05 111.278 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -52.19 -49.94 48.14 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.371 -0.919 . . . . 44.68 112.805 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -59.93 -45.42 92.65 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.329 -0.512 . . . . 64.01 111.356 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 210' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.06 -39.52 86.29 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.372 -0.531 . . . . 44.98 111.158 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 211' ' ' SER . . . . . . . . . . . . . 25.1 p -62.42 -41.22 98.53 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.323 -0.551 . . . . 45.58 110.805 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.13 -46.57 80.4 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.855 -0.338 . . . . 51.18 110.881 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -58.34 -36.88 74.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.504 -0.479 . . . . 64.15 111.017 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 214' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -41.66 96.72 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.92 -0.712 . . . . 51.27 111.541 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 215' ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.55 -36.91 85.19 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 119.21 -0.996 . . . . 52.01 111.226 177.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -57.1 -45.17 83.61 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.5 0.19 . . . . 69.99 111.124 173.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 217' ' ' THR . . . . . . . . . . . . . 23.2 m -64.19 -45.15 89.58 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.244 -0.285 . . . . 61.92 111.637 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 218' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.09 -34.77 76.94 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.388 -0.525 . . . . 66.8 111.373 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -80.48 -27.35 37.83 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.257 -0.577 . . . . 74.44 112.348 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 220' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.18 -31.61 71.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.661 -0.815 . . . . 90.24 111.276 171.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 221' ' ' ALA . . . . . . . . . . . . . . . -70.78 -14.32 62.38 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.71 0.633 . . . . 75.97 112.71 -178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 222' ' ' THR . . . . . . . . . . . . . 45.3 p -90.74 -46.04 8.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 118.19 0.45 . . . . 83.21 112.056 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 223' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.957 0.408 . . . . 97.26 110.47 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' RET . . . . . 0.609 H161 ' H8 ' ' A' ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' C14 . . . . . 0.42 H101 ' CD2' ' A' ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' C14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' BOG . . . . . 0.434 ' H2 ' ' O ' ' A' ' 92' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 301' ' ' RET . . . . . 0.57 H161 ' H8 ' ' B' ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' D10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . 0.423 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . 0.443 ' O ' ' NE2' ' A' ' 152' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 C--O 1.243 0.737 0 CA-C-O 120.977 0.418 . . . . 54.04 109.963 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 m -60.2 -49.88 75.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.665 -0.814 . . . . 39.47 110.61 173.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -61.89 -41.62 98.1 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.823 -0.751 . . . . 44.21 111.584 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.2 86.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 120.522 -0.471 . . . . 35.72 110.648 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -69.03 -29.11 67.2 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.424 -0.51 . . . . 41.2 112.335 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.77 -36.06 77.84 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 118.478 -1.289 . . . . 33.71 110.286 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -74.74 -29.02 61.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 118.632 -1.227 . . . . 37.13 111.59 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -63.27 -39.26 84.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.682 0 N-CA-C 109.389 -0.597 . . . . 36.95 109.389 171.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.68 -47.94 87.33 Favored Glycine 0 C--N 1.34 0.786 0 C-N-CA 120.678 -0.772 . . . . 34.19 112.382 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.2 -49.82 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.373 0.606 . . . . 33.27 110.231 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.07 -46.34 59.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 120.943 0.401 . . . . 39.72 110.256 -170.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -59.09 -44.24 91.91 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.728 -0.389 . . . . 42.27 111.255 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.3 mmt -71.89 -38.71 69.94 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 120.285 -0.566 . . . . 38.13 111.056 -178.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.43 90.38 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 118.637 -1.225 . . . . 42.9 110.564 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.54 81.27 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.399 -0.52 . . . . 43.87 110.877 173.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.82 90.87 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 119.888 -1.149 . . . . 41.33 112.294 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -59.09 -46.5 88.14 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 122.442 -0.446 . . . . 42.36 110.894 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.19 -44.22 97.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.207 -0.451 . . . . 42.34 110.831 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -65.38 -49.92 67.47 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.37 -0.932 . . . . 53.09 111.361 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -66.89 -32.63 74.02 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 118.844 -1.142 . . . . 45.49 111.368 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.53 47.8 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 119.85 -1.167 . . . . 44.12 112.521 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -51.93 -44.68 64.0 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.359 -0.495 . . . . 55.14 111.746 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.77 93.42 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.051 -1.071 . . . . 45.32 112.552 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.26 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.646 -0.822 . . . . 47.11 110.878 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -66.2 -31.87 72.96 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.035 0.383 . . . . 69.23 112.035 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -99.19 10.87 40.59 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 113.672 0.989 . . . . 60.99 113.672 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.53 145.26 52.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.017 0.913 . . . . 60.07 111.752 -169.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.94 -55.59 21.43 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.728 -1.123 . . . . 77.16 110.751 -176.027 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -136.45 -172.03 3.05 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.101 -1.074 . . . . 59.33 108.101 -174.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.46 -33.85 76.63 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.102 -0.639 . . . . 58.64 111.899 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -67.7 -42.28 82.27 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.132 -0.627 . . . . 67.02 111.139 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -66.98 -37.69 84.69 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.413 -0.915 . . . . 51.35 110.769 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -63.42 -38.28 90.52 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.875 -0.33 . . . . 62.56 111.322 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.96 -48.74 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 119.155 -1.018 . . . . 42.88 109.849 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.86 -35.53 74.77 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.5 -0.88 . . . . 43.5 111.568 -173.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -68.96 -39.08 79.67 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.504 -0.878 . . . . 47.57 111.145 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 m -63.15 -42.92 99.53 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.661 -0.415 . . . . 41.09 110.898 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 mt -54.0 -54.97 31.69 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.733 -0.787 . . . . 39.08 110.445 175.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -69.31 -27.65 65.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.229 -0.588 . . . . 40.46 112.375 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.65 -44.12 97.57 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.775 -1.17 . . . . 36.77 111.02 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CD2' H101 ' A' ' 304' ' ' C14 . 21.8 m-85 -75.19 -34.34 61.51 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.809 -0.757 . . . . 35.99 111.011 -175.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.7 mt -53.89 -48.47 62.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.371 0.605 . . . . 35.16 110.06 173.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.9 m -75.89 -35.98 59.64 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.815 -0.553 . . . . 36.43 111.924 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.83 -42.36 99.7 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.021 -0.672 . . . . 41.43 111.114 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 mt -61.76 -49.01 86.02 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 CA-C-O 121.228 0.537 . . . . 36.22 109.897 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.74 72.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.134 -0.626 . . . . 33.83 111.75 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.01 89.05 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.877 -0.729 . . . . 34.24 110.742 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.07 97.66 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.23 -0.986 . . . . 30.64 112.238 173.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.6 tp -50.79 -55.31 17.43 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.017 0.437 . . . . 32.75 111.254 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -68.8 -33.99 74.77 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 119.84 -0.744 . . . . 34.79 111.197 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -60.29 -43.26 96.41 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.227 -0.989 . . . . 33.88 110.567 173.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.13 74.66 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.514 -0.875 . . . . 32.29 110.839 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.5 mtm -61.41 -42.06 98.14 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.57 -0.287 . . . . 34.63 111.603 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.97 74.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.19 -0.604 . . . . 36.61 111.261 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.31 9.1 24.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.574 0.583 . . . . 37.11 112.574 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.17 20.17 61.26 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.678 -1.249 . . . . 36.77 115.302 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.39 155.32 18.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.767 1.284 . . . . 39.88 110.868 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA3' ' HB ' ' A' ' 70' ' ' VAL . . . 67.82 26.71 73.78 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.322 -0.853 . . . . 35.13 114.732 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -135.73 125.9 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.906 -1.146 . . . . 40.35 107.906 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -135.95 158.62 43.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.162 -1.051 . . . . 39.67 108.162 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.37 113.21 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 107.421 -1.326 . . . . 42.84 107.421 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.75 127.15 68.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 107.105 -1.443 . . . . 46.59 107.105 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 401' ' ' HOH . 88.9 m-20 57.07 42.43 25.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.164 0.507 . . . . 52.04 110.576 -176.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.62 2.92 57.3 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 116.582 1.393 . . . . 43.51 116.582 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -126.02 140.09 36.0 Favored Pre-proline 0 C--O 1.237 0.429 0 CA-C-N 119.711 1.755 . . . . 65.5 109.951 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -59.84 126.84 21.54 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 N-CA-C 108.947 -1.213 . . . . 44.32 108.947 165.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -131.48 122.48 26.27 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.213 -0.449 . . . . 41.3 110.222 -169.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -85.33 69.5 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.437 1.113 . . . . 39.65 109.892 -174.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -63.09 -21.59 66.28 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.936 -1.029 . . . . 38.32 113.051 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.424 ' HB ' ' HA3' ' A' ' 58' ' ' GLY . 11.4 p -61.58 -23.79 31.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 CA-C-N 118.499 0.591 . . . . 34.65 112.386 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -50.99 -37.1 42.82 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.858 -0.737 . . . . 39.3 111.436 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -69.2 -33.97 74.18 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 119.981 -0.688 . . . . 36.04 111.666 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.17 -49.27 84.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.424 -0.51 . . . . 34.11 110.5 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.6 p -80.88 -38.99 27.13 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.696 -0.802 . . . . 34.15 111.615 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.404 ' CD1' ' H14' ' A' ' 301' ' ' RET . 33.4 m0 -52.21 -38.76 58.89 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.554 -0.458 . . . . 35.43 111.178 171.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.93 -29.35 67.04 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.486 -0.486 . . . . 33.79 111.804 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.7 -36.57 12.86 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 113.123 0.786 . . . . 42.99 113.123 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 p -87.21 -36.4 18.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.833 0.679 . . . . 33.72 112.833 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 55.6 p -69.21 -34.56 5.03 Favored Pre-proline 0 C--O 1.239 0.538 0 C-N-CA 118.693 -1.203 . . . . 35.81 113.413 -176.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' THR . 14.0 Cg_endo -60.31 -32.25 93.92 Favored 'Trans proline' 0 CA--C 1.512 -0.58 0 CA-C-N 121.093 1.426 . . . . 35.43 112.557 171.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.76 -36.55 78.48 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.1 -0.64 . . . . 36.29 111.21 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 85' ' ' ASP . 25.0 mt -60.12 -47.67 84.93 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.337 -0.545 . . . . 39.99 110.979 172.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.65 -31.22 71.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.786 -0.765 . . . . 37.92 111.057 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.61 -29.72 66.18 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.428 -0.909 . . . . 39.35 111.434 176.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 48.1 m-20 -50.49 -47.24 57.26 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.398 -0.921 . . . . 38.67 110.138 169.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 162' ' ' LEU . 21.5 mt -68.46 -45.62 71.97 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.376 -0.374 . . . . 43.94 111.703 -176.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 p -75.89 -26.76 57.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.037 -0.665 . . . . 42.64 112.227 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -67.77 -45.37 75.06 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.091 -0.644 . . . . 48.76 110.991 172.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.87 -39.34 79.9 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.735 -0.786 . . . . 44.89 111.292 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.14 -13.25 83.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.65 -1.262 . . . . 46.51 114.536 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 52.19 49.83 19.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.608 1.194 . . . . 83.62 110.383 -169.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' THR . . . . . 0.434 ' O ' ' H2 ' ' A' ' 306' ' ' BOG . 24.0 m -68.6 147.62 51.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.482 -1.235 . . . . 43.35 111.749 -176.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.0 p -63.75 163.76 11.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.214 1.007 . . . . 44.91 111.644 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.06 -54.34 56.33 Favored Pre-proline 0 C--O 1.242 0.71 0 CA-C-N 114.927 -1.033 . . . . 47.76 113.427 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.21 -34.65 67.51 Favored 'Trans proline' 0 C--O 1.237 0.427 0 CA-C-N 120.882 1.351 . . . . 47.22 113.134 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.5 -36.29 71.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.358 -0.537 . . . . 45.17 110.859 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 94.9 m -64.59 -44.63 90.04 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.566 -0.454 . . . . 42.43 111.049 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.46 -38.09 95.32 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 119.771 -1.204 . . . . 37.81 112.754 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -60.25 -44.32 95.38 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 122.099 -0.647 . . . . 45.79 111.375 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.74 -45.66 93.43 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.076 -0.649 . . . . 39.21 110.541 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.42 -42.65 82.86 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.212 -0.449 . . . . 43.52 110.948 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.61 63.12 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.639 -1.267 . . . . 35.24 112.672 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.2 -40.52 77.6 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 122.467 -0.431 . . . . 36.14 111.328 177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -63.09 -47.31 83.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.71 0.29 . . . . 36.32 111.355 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.92 98.05 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 122.366 -0.209 . . . . 31.58 111.373 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -57.46 -45.85 84.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 120.813 0.339 . . . . 37.42 110.898 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 53.3 ttp -55.81 -44.6 78.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.923 0.392 . . . . 38.49 111.559 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.71 -39.42 64.35 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 118.644 -1.222 . . . . 34.56 111.398 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.49 -46.75 88.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 119.383 -0.927 . . . . 34.56 110.303 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -71.38 -30.2 65.85 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 118.394 -1.322 . . . . 33.76 111.242 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.09 -38.72 96.38 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 119.843 -1.17 . . . . 34.34 112.404 169.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.4 -42.45 98.75 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 118.687 -1.205 . . . . 35.94 110.606 174.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.0 -42.45 93.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 119.869 -0.732 . . . . 33.83 110.484 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.98 73.66 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 121.912 -0.492 . . . . 34.63 111.658 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.7 m -77.38 -29.06 53.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.126 0.417 . . . . 39.56 112.126 -173.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 m -101.04 -2.39 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 113.217 0.821 . . . . 36.99 113.217 -176.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.9 p -99.45 156.24 35.63 Favored Pre-proline 0 C--N 1.347 0.473 0 CA-C-N 119.442 1.019 . . . . 40.18 111.09 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -78.67 158.39 28.33 Favored 'Trans proline' 0 C--N 1.33 -0.442 0 CA-C-O 122.089 0.787 . . . . 43.09 111.938 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -70.87 144.79 91.04 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.957 -1.02 . . . . 58.58 110.011 170.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -92.15 -5.12 45.7 Favored 'Cis proline' 0 C--N 1.345 0.368 0 N-CA-C 115.232 1.205 . . . . 46.81 115.232 4.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -58.9 -32.83 69.87 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.839 -0.744 . . . . 59.9 111.863 -177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.1 p -54.47 -34.7 62.02 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.17 0.434 . . . . 40.4 112.17 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -62.42 -33.9 75.7 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 112.591 0.589 . . . . 60.61 112.591 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.49 -47.69 89.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.606 0.717 . . . . 40.49 110.138 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -70.67 -34.91 72.51 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.917 -0.713 . . . . 35.44 111.47 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -56.21 -44.08 79.16 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.85 0.357 . . . . 42.19 111.137 173.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.6 -43.17 94.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 116.619 -0.264 . . . . 45.38 110.658 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.17 -45.16 99.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.389 0.614 . . . . 38.76 110.478 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 t -61.16 -43.78 98.34 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 121.602 -0.686 . . . . 38.04 111.642 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 65.4 m -61.75 -39.13 90.5 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 120.373 -0.531 . . . . 40.31 111.479 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.45 92.17 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.679 -0.409 . . . . 40.08 111.067 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.05 83.77 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.618 -0.433 . . . . 39.43 111.322 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.74 -40.97 96.21 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 119.019 -1.073 . . . . 41.79 111.377 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.75 -34.71 78.5 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.477 -0.889 . . . . 48.55 111.07 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.7 90.69 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.217 -0.593 . . . . 40.17 111.254 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.87 -47.4 89.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.535 -0.466 . . . . 39.67 110.43 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.484 HG13 HD13 ' A' ' 167' ' ' LEU . 93.1 t -56.37 -46.67 81.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.831 0.348 . . . . 45.5 110.437 179.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -64.28 -44.27 92.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.066 -1.053 . . . . 59.1 111.419 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.17 -40.81 97.27 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.427 -0.509 . . . . 46.37 111.399 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 144' ' ' TYR . 61.4 mt -72.15 -43.43 64.66 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.424 -0.51 . . . . 44.16 111.132 179.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -76.38 -22.32 54.93 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 113.025 0.75 . . . . 49.52 113.025 -172.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -116.57 -85.23 0.0 OUTLIER Pre-proline 0 C--O 1.238 0.469 0 CA-C-O 117.612 -1.185 . . . . 54.42 110.358 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -61.55 -37.06 72.99 Favored 'Trans proline' 0 C--N 1.353 0.799 0 CA-C-N 122.552 1.947 . . . . 47.7 114.397 -171.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' A' ' 140' ' ' LEU . 26.2 t80 -65.22 -46.54 80.24 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 118.25 -1.38 . . . . 47.39 110.924 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -67.85 -44.92 76.02 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.582 0.23 . . . . 61.76 111.085 -175.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 30.1 mt -60.28 -49.42 84.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 120.999 0.428 . . . . 58.55 110.613 -177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.32 90.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.107 -0.637 . . . . 51.7 111.268 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.43 78.04 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.861 -0.735 . . . . 49.8 110.713 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -69.72 -40.12 76.41 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.833 -0.347 . . . . 66.4 111.449 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -59.61 -36.28 76.01 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.547 -0.861 . . . . 73.55 111.164 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -83.11 -19.8 36.05 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 113.202 0.815 . . . . 58.05 113.202 -178.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 402' ' ' HOH . 62.8 m80 -124.4 62.66 32.16 Favored Pre-proline 0 C--O 1.236 0.389 0 CA-C-N 118.853 0.751 . . . . 53.76 109.627 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.31 -28.4 62.37 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 120.552 0.835 . . . . 54.97 114.201 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -85.58 -12.45 51.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.25 0.833 . . . . 88.54 113.25 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 73.5 m -118.89 25.88 9.91 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.839 0.745 . . . . 58.11 112.641 -172.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -53.39 -36.04 61.01 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.102 0.408 . . . . 71.74 112.102 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.48 -32.4 71.28 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.344 -0.942 . . . . 62.08 111.689 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -55.25 -46.42 76.04 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.208 0.528 . . . . 49.08 110.911 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -73.0 -37.4 67.0 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.687 -0.405 . . . . 49.35 111.705 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -56.98 -40.13 75.94 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.453 -0.499 . . . . 68.94 111.287 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.3 m -68.81 -46.07 69.61 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.104 -0.373 . . . . 50.92 111.24 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 86' ' ' LEU . 1.8 mt -51.08 -52.41 43.71 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 51.18 111.61 176.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.06 -39.83 84.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 120.826 0.346 . . . . 49.12 110.64 -177.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.6 m -60.56 -51.59 68.79 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.816 -0.552 . . . . 45.53 111.435 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.87 -43.05 94.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 119.624 -0.83 . . . . 45.1 110.403 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.62 -53.83 51.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.247 -0.581 . . . . 47.28 111.458 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.484 HD13 HG13 ' A' ' 137' ' ' VAL . 53.1 mt -72.42 -29.22 63.52 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.509 -0.877 . . . . 52.0 112.195 -174.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.91 -48.8 86.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 119.25 -0.98 . . . . 41.34 109.931 174.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 54.6 mt -66.6 -46.8 74.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.845 -0.534 . . . . 40.98 111.631 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -70.79 -32.22 69.24 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 118.376 -1.33 . . . . 40.49 111.431 -173.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 36.2 m -63.28 -26.66 68.88 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.705 -0.798 . . . . 38.78 111.576 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.11 -22.96 62.97 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 118.827 -1.149 . . . . 45.66 112.241 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.43 -52.92 62.37 Favored Pre-proline 0 C--O 1.25 1.128 0 CA-C-O 118.27 -0.871 . . . . 37.21 113.032 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.56 -22.83 43.94 Favored 'Trans proline' 0 CA--C 1.511 -0.663 0 CA-C-N 121.982 1.743 . . . . 38.95 113.1 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.2 -46.54 77.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.861 0.362 . . . . 38.63 110.104 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.69 -47.37 82.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.099 0.476 . . . . 41.33 110.454 174.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -57.8 -52.82 63.91 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 122.147 -0.345 . . . . 39.55 111.72 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 7.4 tp -67.94 -29.37 44.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 120.804 -0.358 . . . . 47.37 111.742 -174.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 79.5 mt -84.62 -18.56 35.07 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.348 -0.845 . . . . 48.3 112.835 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.8 p -70.15 178.13 1.15 Allowed Pre-proline 0 C--O 1.241 0.656 0 C-N-CA 126.309 1.844 . . . . 45.85 109.772 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -61.01 -12.33 22.21 Favored 'Trans proline' 0 C--O 1.241 0.662 0 CA-C-N 119.996 1.034 . . . . 52.38 114.244 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -64.4 -25.08 67.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 119.4 1.0 . . . . 53.93 111.109 172.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -124.56 -100.57 1.34 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 113.782 0.273 . . . . 54.42 113.782 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -88.21 -4.1 58.77 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.849 1.055 . . . . 65.96 113.849 -170.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 15.8 m 52.29 50.0 19.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 118.861 0.755 . . . . 58.98 112.367 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 8.8 p -87.37 -4.82 59.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.423 0.897 . . . . 55.06 113.423 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.23 168.15 28.02 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.209 0.913 . . . . 48.55 108.751 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 46.9 p -84.67 167.4 16.23 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.723 1.209 . . . . 55.55 111.8 -172.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -56.44 -36.21 68.75 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 114.948 -1.024 . . . . 56.27 111.496 173.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -58.9 -47.75 89.04 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 120.206 -0.997 . . . . 44.04 112.12 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' SER . . . . . . . . . . . . . 74.7 m -68.72 -40.65 79.82 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 120.415 -0.514 . . . . 47.9 111.086 177.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.44 -48.18 69.02 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.85 0.357 . . . . 55.95 110.86 174.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 12.0 m -58.22 -43.48 87.7 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 120.376 -0.53 . . . . 41.94 110.983 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 56.9 ttp -60.12 -44.23 95.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.473 -0.491 . . . . 44.75 110.937 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.58 -45.35 79.54 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.797 -0.761 . . . . 45.46 111.57 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -65.35 -34.67 78.86 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.932 -0.707 . . . . 41.07 110.922 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.0 m -69.66 -43.89 71.64 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.347 -0.541 . . . . 37.98 111.3 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.29 -48.2 81.24 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.914 -0.714 . . . . 39.89 111.313 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.78 -49.69 76.47 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.427 -0.509 . . . . 37.2 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.95 -42.15 79.57 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.921 -0.712 . . . . 43.67 111.061 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.08 -41.57 87.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 118.979 -1.088 . . . . 39.95 110.256 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.82 82.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.647 -0.821 . . . . 38.38 111.705 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 97.5 p -87.35 -9.68 54.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.573 -0.851 . . . . 44.64 112.304 -170.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -113.06 -64.92 1.24 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.776 0.43 . . . . 40.32 110.481 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.13 -53.26 30.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 118.998 0.817 . . . . 43.4 110.288 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -57.32 -57.73 18.26 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.013 -0.613 . . . . 41.58 113.637 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.65 -35.02 75.17 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.324 -0.55 . . . . 42.2 111.58 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -57.19 -42.7 93.47 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.202 -0.999 . . . . 42.32 112.968 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.8 -44.26 81.72 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.069 -0.652 . . . . 53.13 111.475 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 25.6 tp -53.46 -45.05 69.4 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.923 0.392 . . . . 43.42 111.503 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 18.8 p -60.81 -40.66 93.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 118.674 -1.21 . . . . 43.1 110.885 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.65 -45.07 88.33 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.864 -0.734 . . . . 47.95 111.324 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -61.73 -36.62 81.49 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.465 -0.494 . . . . 65.76 111.079 176.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' THR . . . . . 0.441 ' O ' ' HG ' ' A' ' 218' ' ' LEU . 52.5 m -61.91 -38.63 89.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.308 -0.557 . . . . 48.91 110.747 178.065 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.05 -41.61 86.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.446 -0.902 . . . . 52.14 110.929 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -57.52 -44.64 85.24 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.088 -0.645 . . . . 74.64 111.286 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 59.6 m -61.0 -38.17 85.11 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.538 -0.465 . . . . 58.71 111.788 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 214' ' ' THR . 70.3 mt -66.81 -38.81 87.2 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.284 -0.566 . . . . 59.02 111.321 178.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -67.99 -41.21 82.63 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.33 -0.548 . . . . 66.79 111.321 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -67.04 -27.74 67.64 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.036 0.384 . . . . 82.95 112.036 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' ALA . . . . . . . . . . . . . . . -76.28 -0.68 23.29 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.055 0.761 . . . . 75.9 113.055 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 1.4 m -136.18 40.94 2.65 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.619 0.645 . . . . 85.67 110.565 173.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.195 0.521 . . . . 95.56 110.301 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.357 0.599 . . . . 67.06 111.259 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -57.67 -46.7 83.93 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.578 -0.737 . . . . 49.25 110.555 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -63.62 -43.77 95.88 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 122.062 -0.399 . . . . 49.03 111.658 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.07 -0.652 . . . . 42.43 111.226 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' TRP . . . . . 0.483 ' CE2' ' HG3' ' B' ' 194' ' ' MET . 79.8 m95 -69.16 -31.14 69.59 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.477 -0.889 . . . . 44.62 111.42 -179.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.05 -42.3 97.08 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.659 -0.816 . . . . 38.89 110.769 174.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -67.02 -35.47 79.98 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.45 -0.9 . . . . 46.29 111.319 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -61.83 -37.75 78.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.142 -0.623 . . . . 41.47 110.174 174.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.78 -49.1 82.38 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.2 -1.0 . . . . 36.99 112.51 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 77.6 t -53.48 -52.4 33.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 O-C-N 121.939 -0.742 . . . . 40.47 110.13 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.34 -47.22 94.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.236 0.541 . . . . 45.19 110.759 -176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -64.7 -44.19 91.07 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.414 -0.914 . . . . 42.92 111.285 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mmt -68.59 -35.02 76.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.548 -0.861 . . . . 42.38 110.756 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.94 99.62 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.235 -0.586 . . . . 45.95 111.307 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.92 -47.24 75.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.717 -0.393 . . . . 50.82 111.253 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.79 63.28 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.091 -1.052 . . . . 46.97 112.46 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 37.3 m -51.9 -46.95 64.77 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 122.383 -0.481 . . . . 49.24 111.483 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.97 -46.51 88.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.144 0.497 . . . . 53.55 110.166 -176.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.21 -55.83 28.33 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.622 -0.831 . . . . 64.23 111.38 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -66.46 -34.83 78.82 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.449 -0.9 . . . . 50.87 111.193 -176.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.64 -37.57 92.59 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 119.748 -1.215 . . . . 51.37 112.413 -178.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.79 -49.69 75.33 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 69.35 111.032 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.98 -37.59 58.55 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.42 -0.895 . . . . 60.16 112.879 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.49 94.16 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.92 -0.712 . . . . 60.48 110.966 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -71.65 -35.52 70.38 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.993 -0.283 . . . . 73.18 111.7 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -95.01 2.65 55.35 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 113.603 0.964 . . . . 73.58 113.603 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 152.8 7.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.515 0.674 . . . . 73.43 111.489 -165.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -80.64 -27.16 37.29 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.369 -0.832 . . . . 80.47 113.044 -172.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.486 ' ND2' ' HD1' ' B' ' 32' ' ' TRP . 2.6 p30 -161.94 -172.79 3.4 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.329 -0.989 . . . . 72.3 108.329 175.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.72 -30.43 69.92 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.832 -0.747 . . . . 77.09 112.266 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -64.55 -43.44 93.94 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.157 -0.617 . . . . 83.12 110.87 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.486 ' HD1' ' ND2' ' B' ' 29' ' ' ASN . 87.8 m95 -71.15 -34.54 71.08 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.856 -0.337 . . . . 59.78 111.507 179.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.12 -50.76 68.43 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.602 -0.439 . . . . 70.56 110.778 172.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.35 -48.15 88.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.202 0.525 . . . . 51.37 110.386 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -70.4 -43.09 70.73 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.132 -0.627 . . . . 51.97 111.806 -172.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -61.29 -42.17 98.2 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.109 -0.636 . . . . 54.55 111.374 173.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 60.9 m -66.25 -40.71 90.36 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.497 -0.481 . . . . 45.91 111.095 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.68 -50.19 68.84 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.958 0.409 . . . . 43.49 110.961 174.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -75.62 -26.05 57.44 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.305 -0.558 . . . . 45.31 112.093 -176.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -60.04 -52.36 65.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 119.567 -0.853 . . . . 42.09 110.543 172.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -65.79 -37.85 87.41 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.058 -1.057 . . . . 41.71 110.871 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mt -54.43 -48.48 69.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-O 121.166 0.508 . . . . 36.07 109.942 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -73.22 -36.02 66.41 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 120.592 -0.443 . . . . 40.48 111.707 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.82 -44.42 96.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 120.505 -0.478 . . . . 41.35 111.104 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.38 -47.78 83.97 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-O 121.501 0.667 . . . . 37.65 109.812 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.9 71.5 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.323 -0.551 . . . . 35.87 111.613 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.55 93.78 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.076 -1.05 . . . . 38.24 110.551 176.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.3 91.05 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 119.437 -1.363 . . . . 35.4 112.241 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 31.5 tp -51.96 -52.05 53.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 122.409 -0.466 . . . . 33.77 110.776 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -72.11 -33.64 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 119.88 -0.728 . . . . 35.11 111.234 -172.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.83 -44.58 96.56 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.389 -0.524 . . . . 36.46 110.888 172.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -52.58 64.76 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.26 -0.576 . . . . 34.22 110.896 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 49.6 mtm -64.86 -45.32 86.57 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 120.272 -0.571 . . . . 35.95 111.465 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.66 69.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 119.762 -0.775 . . . . 41.23 111.703 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 2.87 34.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 118.13 -0.938 . . . . 43.12 113.285 177.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.09 59.05 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 115.677 1.031 . . . . 37.38 115.677 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.61 154.75 18.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.485 1.142 . . . . 38.47 110.819 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.67 23.31 78.13 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.768 -1.206 . . . . 38.39 113.87 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.48 130.42 56.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.886 -1.153 . . . . 41.6 107.886 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -137.93 156.83 47.47 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.644 -0.873 . . . . 44.57 108.644 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -77.82 113.19 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 107.895 -1.15 . . . . 41.26 107.895 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.9 mt -127.34 129.85 70.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 107.933 -1.136 . . . . 46.88 107.933 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 48.07 39.69 11.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.436 0.636 . . . . 53.48 111.103 -170.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.13 16.33 80.77 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 115.838 1.095 . . . . 44.21 115.838 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -138.36 135.57 18.39 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 118.385 1.092 . . . . 68.98 110.295 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.58 116.71 3.17 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 120.829 1.02 . . . . 44.39 111.897 168.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -123.72 119.87 31.04 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.786 -0.45 . . . . 41.08 109.786 -174.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -82.53 70.53 9.52 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 122.703 1.24 . . . . 41.53 109.229 -177.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -60.98 -22.87 64.9 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.671 -1.149 . . . . 41.41 112.719 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.06 -21.61 24.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 118.502 0.592 . . . . 34.09 112.169 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -53.34 -35.51 60.32 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.166 -1.014 . . . . 38.26 110.918 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -72.56 -31.83 65.56 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 119.262 -0.975 . . . . 35.47 111.237 -177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.95 -49.95 77.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.36 -0.536 . . . . 33.73 110.315 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 68.2 p -77.01 -33.86 57.47 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 119.721 -0.792 . . . . 37.04 112.185 -179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -59.16 -34.0 71.58 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.808 -1.157 . . . . 35.08 110.69 174.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.96 -27.41 68.83 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.573 -0.451 . . . . 39.32 111.327 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.87 -40.1 10.81 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.953 0.901 . . . . 43.53 113.026 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 55.1 p -79.35 -41.76 27.16 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 112.913 0.708 . . . . 36.43 112.913 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 57.5 p -66.26 -36.06 11.96 Favored Pre-proline 0 C--O 1.242 0.67 0 CA-C-O 117.666 -1.159 . . . . 34.84 113.856 -174.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.99 -38.03 97.03 Favored 'Trans proline' 0 C--N 1.349 0.567 0 CA-C-N 121.757 1.663 . . . . 37.03 112.736 170.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -66.16 -37.42 85.59 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.63 -0.428 . . . . 36.99 111.14 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.66 -41.85 98.1 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.659 -0.816 . . . . 38.95 110.56 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.86 -33.91 75.05 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.772 -0.771 . . . . 40.01 111.237 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.54 -28.68 65.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.545 -0.862 . . . . 42.3 112.352 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -51.25 -45.73 62.12 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 119.033 0.833 . . . . 45.99 110.237 169.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' B' ' 166' ' ' HIS . 3.3 mt -71.8 -44.14 64.47 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.419 . . . . 44.26 111.341 -175.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 81.4 p -74.99 -31.09 61.35 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.794 -1.163 . . . . 45.71 111.27 -174.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.86 -52.57 62.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.71 -0.396 . . . . 50.32 111.023 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.08 -39.59 82.62 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.206 -0.597 . . . . 48.64 110.801 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.48 -21.9 76.5 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 118.887 -0.952 . . . . 50.01 115.458 -177.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 55.42 47.37 21.33 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.579 1.189 . . . . 81.9 110.172 -165.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -67.39 149.23 50.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.964 -1.016 . . . . 49.36 111.193 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -70.77 161.88 30.12 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 122.065 0.936 . . . . 56.35 111.611 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.94 -51.72 77.36 Favored Pre-proline 0 C--O 1.24 0.577 0 CA-C-N 114.75 -1.114 . . . . 55.13 112.912 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -60.58 -33.84 93.14 Favored 'Trans proline' 0 C--O 1.24 0.615 0 CA-C-N 121.466 1.559 . . . . 54.02 113.355 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.52 -42.58 61.57 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.266 -0.973 . . . . 49.88 111.031 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 91.5 m -59.39 -44.65 92.74 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.985 -0.286 . . . . 48.86 111.376 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.16 94.81 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 119.842 -1.17 . . . . 43.1 112.212 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 4.2 m -62.16 -42.15 98.99 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.5 -0.412 . . . . 44.35 111.494 177.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.22 -47.91 82.32 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.942 0.401 . . . . 42.69 110.798 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.95 -41.54 86.76 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 116.589 -0.278 . . . . 44.3 111.374 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.03 94.87 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.046 -1.073 . . . . 37.01 112.435 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.05 96.54 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 122.261 -0.552 . . . . 36.52 110.712 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -60.22 -47.46 85.89 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.895 0.378 . . . . 35.03 111.488 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.64 94.03 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.903 -0.719 . . . . 35.98 110.621 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.62 -45.84 81.29 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 120.842 0.353 . . . . 38.99 111.027 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.28 -46.98 76.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.713 0.292 . . . . 38.85 111.528 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.51 -42.66 67.72 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.833 -0.747 . . . . 37.59 111.847 -174.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.65 -47.33 91.49 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 119.969 -0.692 . . . . 33.25 110.44 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 69.9 p -73.5 -28.8 62.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 118.209 -1.397 . . . . 33.39 110.892 -176.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.78 -38.55 93.15 Favored Glycine 0 C--N 1.344 0.989 0 C-N-CA 120.807 -0.711 . . . . 32.56 112.236 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.58 -44.54 81.14 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.35 -0.54 . . . . 35.21 111.162 168.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.86 -42.05 94.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 119.761 -0.775 . . . . 32.61 110.301 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.67 72.87 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.634 -0.427 . . . . 36.42 111.34 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 79.8 m -73.95 -29.84 62.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.323 0.49 . . . . 37.61 112.323 -174.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 17.2 m -106.55 3.13 10.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 113.472 0.915 . . . . 37.15 113.472 -174.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 22.7 p -103.55 155.05 37.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 119.042 0.837 . . . . 41.63 111.329 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -76.49 162.61 33.11 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-O 122.161 0.817 . . . . 42.98 111.914 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' B' ' 183' ' ' GLY . 67.4 mttt -80.28 148.49 67.13 Favored Pre-proline 0 C--N 1.343 0.306 0 CA-C-N 114.986 -1.006 . . . . 50.53 110.255 170.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -88.08 1.07 68.16 Favored 'Cis proline' 0 C--O 1.237 0.453 0 N-CA-C 114.914 1.082 . . . . 42.82 114.914 4.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 5.8 ttm -66.72 -34.82 78.69 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.577 -0.849 . . . . 62.77 111.286 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 p -52.71 -30.1 30.4 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.243 -0.583 . . . . 41.98 112.093 174.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -68.97 -32.68 72.44 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 119.931 -0.708 . . . . 56.98 112.067 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 60.5 mt -57.02 -50.95 74.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.567 0.699 . . . . 41.09 110.116 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -68.54 -32.22 72.0 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.073 -0.651 . . . . 36.72 111.461 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.8 -45.43 92.35 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.39 -0.524 . . . . 38.61 110.841 173.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.69 -45.24 97.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.007 0.432 . . . . 45.39 110.413 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.88 -48.02 78.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.135 -0.626 . . . . 37.7 110.401 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 9.6 t -60.57 -43.69 97.02 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.97 -0.456 . . . . 34.06 111.724 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 58.0 m -61.38 -41.23 96.77 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.951 -0.7 . . . . 38.58 111.543 176.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.5 -49.17 70.8 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.595 -0.842 . . . . 39.79 110.719 174.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.46 85.8 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.414 -0.914 . . . . 38.0 110.77 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -64.29 -38.46 91.12 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.42 -0.912 . . . . 39.92 111.886 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.54 -34.73 77.51 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.549 -0.719 . . . . 46.8 111.76 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.36 84.0 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 119.994 -0.682 . . . . 41.12 111.287 171.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.84 -40.7 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.185 -0.606 . . . . 41.83 110.225 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.2 -50.72 75.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.193 0.52 . . . . 45.82 110.33 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -59.29 -49.5 77.57 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 120.136 -0.626 . . . . 67.95 111.159 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' LEU . . . . . 0.419 ' HA ' ' HD2' ' B' ' 143' ' ' PRO . 71.1 mt -59.62 -38.6 81.73 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.398 -0.521 . . . . 46.57 111.387 -176.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 144' ' ' TYR . 46.2 mt -79.7 -36.89 36.83 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.155 -1.018 . . . . 45.26 111.509 -177.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -78.38 -24.85 46.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 113.673 0.99 . . . . 51.12 113.673 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' GLN . . . . . 0.622 ' HB2' ' HD3' ' B' ' 143' ' ' PRO . 94.8 mm-40 -116.25 -83.09 0.0 OUTLIER Pre-proline 0 C--O 1.237 0.396 0 C-N-CA 118.137 -1.425 . . . . 63.51 110.571 179.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' PRO . . . . . 0.622 ' HD3' ' HB2' ' B' ' 142' ' ' GLN . 22.8 Cg_exo -54.86 -46.11 35.8 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 CA-C-N 122.093 1.783 . . . . 50.73 114.238 -172.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' B' ' 140' ' ' LEU . 25.9 t80 -63.27 -50.41 70.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 119.884 -0.726 . . . . 49.82 111.208 -175.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -65.71 -36.56 83.97 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 120.739 0.304 . . . . 62.14 111.011 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 56.3 mt -66.88 -49.19 76.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.029 -0.668 . . . . 57.4 110.299 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.97 95.58 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.974 -0.69 . . . . 51.75 111.152 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.61 96.79 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 118.988 -1.085 . . . . 51.14 110.902 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.409 ' OE2' ' NE ' ' B' ' 160' ' ' ARG . 76.0 mt-10 -65.89 -39.61 90.8 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.841 -0.344 . . . . 65.97 111.449 177.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -68.22 -25.15 65.06 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 112.443 0.535 . . . . 73.8 112.443 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -88.01 -16.41 33.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.419 0.896 . . . . 58.48 113.419 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.54 72.08 74.77 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 108.809 -0.812 . . . . 62.74 108.809 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -61.65 -29.14 83.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 N-CA-C 113.558 0.561 . . . . 64.6 113.558 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -81.89 5.41 19.03 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.284 0.846 . . . . 85.47 113.284 179.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' SER . . . . . . . . . . . . . 68.3 m -139.6 37.82 2.03 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.898 0.772 . . . . 59.84 110.821 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -53.82 -45.48 70.84 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 120.161 -0.616 . . . . 74.69 111.393 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -62.25 -37.17 84.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.091 -0.644 . . . . 66.74 111.471 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.4 86.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.631 -0.428 . . . . 48.3 111.064 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -75.62 -35.39 60.52 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.431 0.53 . . . . 52.57 112.431 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' ARG . . . . . 0.409 ' NE ' ' OE2' ' B' ' 149' ' ' GLU . 81.8 mtt180 -62.64 -41.27 98.94 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.983 -0.687 . . . . 68.0 110.684 175.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' THR . . . . . . . . . . . . . 21.1 m -65.62 -44.78 85.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.907 0.384 . . . . 50.04 111.328 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.13 -44.68 96.96 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.902 0.382 . . . . 49.42 111.608 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' VAL . . . . . . . . . . . . . 45.5 t -69.29 -42.27 81.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 C-N-CA 120.27 -0.572 . . . . 46.26 110.242 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' THR . . . . . . . . . . . . . 86.9 m -61.04 -47.92 84.15 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.967 -0.293 . . . . 43.23 111.364 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.16 -43.95 90.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 120.026 -0.67 . . . . 40.08 110.5 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.469 ' CD2' HD11 ' B' ' 86' ' ' LEU . 52.0 t-80 -57.24 -49.73 75.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.048 0.451 . . . . 46.01 110.852 -179.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.476 ' O ' ' OG1' ' B' ' 171' ' ' THR . 83.6 mt -70.03 -34.3 73.09 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 120.626 -0.43 . . . . 39.46 111.5 -175.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' VAL . . . . . . . . . . . . . 11.8 t -61.99 -49.48 83.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.372 0.606 . . . . 37.4 110.023 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 169' ' ' LEU . 32.3 mt -65.78 -47.81 73.9 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 120.874 0.368 . . . . 39.74 111.857 -177.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -67.98 -35.27 78.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 119.759 -0.776 . . . . 38.53 111.351 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 167' ' ' LEU . 27.3 m -62.8 -26.11 68.57 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.586 -0.846 . . . . 36.06 111.263 -177.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.38 -21.47 62.01 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.399 -0.81 . . . . 36.79 112.355 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -62.97 -54.65 44.74 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 119.671 -0.811 . . . . 34.41 112.448 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -23.66 72.53 Favored 'Trans proline' 0 C--O 1.239 0.562 0 CA-C-N 121.187 1.46 . . . . 36.29 113.062 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.68 -47.49 82.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 119.856 -0.738 . . . . 35.67 110.438 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' VAL . . . . . . . . . . . . . 89.3 t -58.42 -49.37 82.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.254 0.549 . . . . 36.84 110.592 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' TRP . . . . . 0.726 ' CE2' ' HG2' ' B' ' 182' ' ' GLU . 25.5 t90 -54.36 -53.24 56.62 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.803 -0.561 . . . . 39.62 111.308 -178.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' B' ' 178' ' ' ILE . 3.9 tp -67.93 -22.86 28.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 113.587 0.958 . . . . 42.58 113.587 -176.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 49.3 mt -92.86 -14.28 27.9 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.646 -1.284 . . . . 39.15 112.388 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 25.6 p -69.85 174.93 2.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 124.878 1.271 . . . . 40.74 110.696 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.51 -10.77 5.44 Favored 'Trans proline' 0 C--O 1.238 0.493 0 N-CA-C 113.346 0.479 . . . . 49.17 113.346 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.726 ' HG2' ' CE2' ' B' ' 177' ' ' TRP . 5.5 tp10 -75.51 -18.6 59.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.897 0.703 . . . . 51.92 112.897 176.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' GLY . . . . . 0.572 ' O ' ' NZ ' ' B' ' 119' ' ' LYS . . . -129.19 -107.12 1.28 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.919 -0.472 . . . . 50.24 111.919 173.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -76.84 -11.56 59.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.488 0.922 . . . . 70.03 113.488 -175.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' SER . . . . . . . . . . . . . 1.4 t 64.68 50.06 2.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.909 0.777 . . . . 54.01 112.057 169.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 10.1 p -89.54 -9.92 48.13 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.387 0.884 . . . . 48.61 113.387 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.53 170.64 17.0 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.592 -0.892 . . . . 43.08 108.592 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' THR . . . . . . . . . . . . . 2.6 p -95.11 166.51 11.89 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.506 1.123 . . . . 50.76 112.021 -170.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.48 -41.33 69.42 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.318 -0.855 . . . . 62.23 111.433 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' GLY . . . . . . . . . . . . . . . -54.71 -40.2 70.23 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 120.497 -0.859 . . . . 45.36 112.557 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' SER . . . . . . . . . . . . . 19.3 m -76.79 -36.21 57.13 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 122.204 -0.586 . . . . 41.17 111.438 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -57.49 -45.73 84.56 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.894 0.378 . . . . 55.07 111.153 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' THR . . . . . . . . . . . . . 36.7 m -57.4 -47.52 81.49 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.959 -0.463 . . . . 45.2 110.863 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' MET . . . . . 0.483 ' HG3' ' CE2' ' B' ' 5' ' ' TRP . 56.8 ttp -60.57 -44.63 95.98 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.633 -0.427 . . . . 46.44 111.426 -179.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.43 -50.31 74.08 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.992 -0.683 . . . . 41.81 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.53 -35.34 80.17 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.638 -0.825 . . . . 39.29 111.233 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 48.8 m -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 118.926 -1.11 . . . . 36.17 110.927 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 198' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.3 -39.17 92.17 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.438 -0.905 . . . . 36.82 110.627 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.26 -42.07 93.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.409 -0.917 . . . . 34.88 111.236 179.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 200' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -64.77 -37.47 87.7 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 111.592 0.219 . . . . 42.47 111.592 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.54 -45.03 89.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.717 -0.793 . . . . 38.11 110.91 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.1 95.77 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 119.41 -0.916 . . . . 39.42 111.714 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 90.4 p -87.36 -3.24 59.02 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.702 1.001 . . . . 40.39 113.702 -172.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -113.62 -63.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.867 0.758 . . . . 42.39 111.751 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.08 -53.34 42.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 118.948 0.795 . . . . 43.26 110.819 173.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.52 61.54 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 119.604 -1.284 . . . . 40.87 112.141 -176.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -63.73 -35.36 80.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.33 -0.948 . . . . 43.05 111.278 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -52.19 -49.94 48.14 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.371 -0.919 . . . . 44.68 112.805 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -59.93 -45.42 92.65 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.329 -0.512 . . . . 64.01 111.356 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.06 -39.52 86.29 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.372 -0.531 . . . . 44.98 111.158 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' SER . . . . . . . . . . . . . 25.1 p -62.42 -41.22 98.53 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.323 -0.551 . . . . 45.58 110.805 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.13 -46.57 80.4 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.855 -0.338 . . . . 51.18 110.881 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -58.34 -36.88 74.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.504 -0.479 . . . . 64.15 111.017 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' THR . . . . . . . . . . . . . 86.2 m -64.31 -41.66 96.72 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.92 -0.712 . . . . 51.27 111.541 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.55 -36.91 85.19 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 119.21 -0.996 . . . . 52.01 111.226 177.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -57.1 -45.17 83.61 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.5 0.19 . . . . 69.99 111.124 173.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' THR . . . . . . . . . . . . . 23.2 m -64.19 -45.15 89.58 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.244 -0.285 . . . . 61.92 111.637 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.09 -34.77 76.94 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.388 -0.525 . . . . 66.8 111.373 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -80.48 -27.35 37.83 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.257 -0.577 . . . . 74.44 112.348 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.18 -31.61 71.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.661 -0.815 . . . . 90.24 111.276 171.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' ALA . . . . . . . . . . . . . . . -70.78 -14.32 62.38 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.71 0.633 . . . . 75.97 112.71 -178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' THR . . . . . . . . . . . . . 45.3 p -90.74 -46.04 8.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 118.19 0.45 . . . . 83.21 112.056 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.957 0.408 . . . . 97.26 110.47 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' RET . . . . . 0.609 H161 ' H8 ' ' A' ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' C14 . . . . . 0.42 H101 ' CD2' ' A' ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' C14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' BOG . . . . . 0.434 ' H2 ' ' O ' ' A' ' 92' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' RET . . . . . 0.57 H161 ' H8 ' ' B' ' 301' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' D10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . 0.423 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . 0.443 ' O ' ' NE2' ' A' ' 152' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_