data_6hfg_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 6hfg _Structure_validation_residue.Date_analyzed 2019-06-28 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 ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 120.369 0.128 . . . . 129.59 110.844 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 60.7 mmm -69.3 -178.79 1.43 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.57 1.548 . . . . 132.36 111.485 -171.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.57 15.49 63.09 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-O 122.309 0.95 . . . . 91.18 111.584 167.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -111.79 -7.96 14.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.415 1.086 . . . . 97.59 109.857 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -146.23 149.48 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 108.001 -1.111 . . . . 84.71 108.001 -172.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -117.02 144.59 44.43 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.187 -1.042 . . . . 70.62 108.187 160.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -138.5 143.87 39.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.927 -0.578 . . . . 79.42 109.569 -177.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -137.93 141.02 40.59 Favored 'General case' 0 C--O 1.248 1.015 0 N-CA-C 106.943 -1.503 . . . . 72.94 106.943 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.1 p -90.11 145.43 25.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 124.436 1.085 . . . . 73.15 109.49 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 73.7 mt -111.51 146.05 37.97 Favored 'General case' 0 C--O 1.202 -1.4 0 C-N-CA 125.457 1.503 . . . . 67.2 109.582 -176.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -80.79 -44.93 17.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.701 -0.852 . . . . 112.63 108.701 170.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -143.83 152.79 41.64 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 122.55 0.34 . . . . 113.06 110.617 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TYR . . . . . 0.543 ' OH ' ' OE1' ' B' ' 83' ' ' GLU . 3.8 t80 -139.75 136.52 34.23 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 107.361 -1.348 . . . . 66.91 107.361 168.319 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.52 128.19 5.47 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.432 -0.667 . . . . 66.34 111.432 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -95.08 124.26 39.03 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 125.564 1.546 . . . . 96.4 108.537 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -71.07 123.69 22.69 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 107.89 -1.152 . . . . 99.44 107.89 170.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 2.4 tpp -93.12 -28.21 16.46 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.332 0.395 . . . . 106.32 110.448 -168.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.857 -0.794 . . . . 114.95 108.857 173.609 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.647 0 N-CA-C 111.003 -0.839 . . . . 103.99 111.003 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -111.63 85.41 6.01 Favored Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 123.15 0.58 . . . . 119.83 110.984 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.42 154.61 64.98 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.137 1.224 . . . . 87.74 110.581 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -91.69 -36.68 13.47 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.903 -0.59 . . . . 90.4 109.559 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -132.85 145.69 51.17 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.663 1.185 . . . . 77.69 109.882 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -117.1 121.22 40.69 Favored 'General case' 0 N--CA 1.419 -2.022 0 N-CA-C 104.951 -2.24 . . . . 105.03 104.951 165.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -115.26 123.71 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 108.455 -0.942 . . . . 69.81 108.455 -167.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -109.97 141.04 43.31 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.531 -0.915 . . . . 73.54 108.531 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -130.42 154.32 47.84 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.811 -0.811 . . . . 100.29 108.811 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.4 m -75.08 106.45 6.6 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 124.221 0.951 . . . . 94.49 109.866 173.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.82 166.03 12.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.236 -1.024 . . . . 127.01 108.236 179.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -73.49 -41.35 63.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.883 -1.154 . . . . 147.46 107.883 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.61 -61.59 1.94 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.2 1.0 . . . . 156.62 110.544 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -52.24 -41.53 62.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.04 1.736 . . . . 129.76 111.571 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.78 163.33 25.06 Favored Glycine 0 N--CA 1.476 1.34 0 N-CA-C 110.987 -0.845 . . . . 99.23 110.987 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.2 p -92.41 149.85 21.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.134 0.969 . . . . 85.81 112.07 -169.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 47.2 mt -95.85 129.41 43.09 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.44 -1.254 . . . . 78.76 108.344 -175.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.9 t -131.07 132.36 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.086 0 N-CA-C 107.17 -1.419 . . . . 70.93 107.17 -176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.43 126.19 51.3 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.664 -1.606 . . . . 64.74 106.664 170.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.8 m -122.99 131.95 53.93 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.074 -1.084 . . . . 64.62 108.074 -172.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.0 mt -123.43 121.79 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 N-CA-C 108.152 -1.055 . . . . 62.83 108.152 169.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.7 t -90.86 145.66 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.481 -1.303 . . . . 71.03 107.481 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.51 -27.62 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.786 0.834 . . . . 101.83 111.757 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 49.6 p -70.46 -11.94 61.25 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 120.233 1.379 . . . . 106.26 111.315 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.31 19.28 9.51 Favored Glycine 0 N--CA 1.476 1.36 0 C-N-CA 125.499 1.523 . . . . 83.52 113.875 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -89.24 141.76 28.25 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.423 -1.045 . . . . 90.29 109.148 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.7 127.26 51.87 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.426 -1.324 . . . . 67.97 107.426 -172.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -133.44 148.51 51.77 Favored 'General case' 0 N--CA 1.436 -1.173 0 O-C-N 123.917 0.76 . . . . 60.16 110.225 175.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 mt -117.9 134.56 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.204 -1.362 . . . . 71.42 107.415 158.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 98.9 p -137.9 145.12 41.72 Favored 'General case' 0 N--CA 1.422 -1.868 0 C-N-CA 120.151 -0.62 . . . . 78.59 109.342 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -117.7 113.01 21.24 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.82 -1.548 . . . . 93.32 106.82 172.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.12 0.26 Allowed Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.023 -1.231 . . . . 110.37 110.023 -162.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -119.87 -8.27 9.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 118.981 -0.533 . . . . 157.46 111.482 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.9 135.75 37.08 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.254 -1.017 . . . . 110.17 108.254 173.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.4 mt -95.34 113.88 25.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.192 -1.04 . . . . 83.91 108.192 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 82.1 mt -87.74 -26.17 23.05 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 115.115 -0.948 . . . . 75.28 109.893 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLU . . . . . 0.543 ' OE1' ' OH ' ' B' ' 25' ' ' TYR . 2.8 tp10 -150.75 143.99 24.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.677 -1.231 . . . . 94.41 107.677 -176.946 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.5 109.43 0.34 Allowed Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.775 -0.726 . . . . 67.65 112.97 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -158.47 166.8 31.3 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.197 0.523 . . . . 74.7 110.188 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 45.5 t -85.83 140.55 30.33 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.343 -0.844 . . . . 74.35 109.237 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 57.7 mt -88.74 -19.99 25.36 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.802 0.689 . . . . 81.01 110.638 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.67 127.65 21.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 108.615 -0.883 . . . . 94.19 108.615 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.72 25.77 71.83 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.332 -0.849 . . . . 88.2 113.215 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 95.3 p -86.41 -12.94 47.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.966 0.506 . . . . 92.1 110.382 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -47.6 -35.37 9.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.975 0.51 . . . . 144.43 110.604 169.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -74.51 -37.37 63.11 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.327 -0.368 . . . . 122.35 110.171 -171.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -124.6 -12.36 7.19 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.615 0.968 . . . . 99.63 113.615 -166.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 18.5 tp -118.71 133.51 55.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.614 0.643 . . . . 78.67 111.384 -169.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -120.86 127.51 51.97 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 126.789 2.036 . . . . 114.72 107.935 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 79.4 mt -120.95 135.15 62.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.881 0 N-CA-C 108.922 -0.77 . . . . 69.67 108.922 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.39 134.93 62.82 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 O-C-N 123.889 0.743 . . . . 76.55 109.946 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -105.3 125.23 50.75 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 123.502 0.721 . . . . 77.12 110.211 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -116.98 105.18 12.04 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 124.978 1.311 . . . . 116.9 107.888 164.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 30.7 mtp 56.77 -110.95 0.58 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.679 1.192 . . . . 105.94 109.624 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -100.93 15.25 29.19 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 119.25 -0.405 . . . . 80.17 111.779 -174.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.34 150.61 38.54 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.0 0.92 . . . . 79.5 110.65 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 81.9 mt -121.7 135.78 54.95 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 124.024 0.827 . . . . 66.79 108.89 167.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -105.78 134.27 49.17 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.148 -1.427 . . . . 90.3 107.148 168.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -117.2 121.87 42.44 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.845 -1.168 . . . . 72.94 107.845 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.42 175.77 19.45 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.947 -0.461 . . . . 87.22 111.947 178.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 49.9 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 124.298 1.039 . . . . 107.43 110.028 -178.503 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 43.3 ttm . . . . . 0 N--CA 1.439 -1.023 0 CA-C-O 122.591 1.186 . . . . 111.54 109.563 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.88 169.43 23.43 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.566 -1.272 . . . . 71.02 107.566 170.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -144.34 142.56 30.47 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.764 -1.569 . . . . 134.03 106.764 -166.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.1 t -140.38 147.0 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 N-CA-C 107.559 -1.274 . . . . 72.33 107.559 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -135.39 124.16 23.9 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.001 -1.111 . . . . 81.14 108.001 174.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.39 151.25 36.64 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 124.661 1.226 . . . . 69.22 108.706 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 3.1 p -94.3 169.42 10.24 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.223 0.535 . . . . 78.57 110.644 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 166.96 157.17 10.25 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.431 1.015 . . . . 84.01 110.728 173.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.83 -27.02 63.55 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.678 -0.489 . . . . 143.84 109.678 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 42.4 p -128.23 168.39 15.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.156 0.582 . . . . 95.41 110.343 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -60.34 -34.07 73.32 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.213 1.005 . . . . 130.86 111.263 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -65.46 -47.98 74.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.288 1.035 . . . . 167.01 111.523 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.85 -39.34 93.41 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.845 -0.798 . . . . 119.38 108.845 -175.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.38 75.75 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.407 -0.59 . . . . 63.99 109.407 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 34.2 tp -59.18 -41.97 89.72 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.052 -0.522 . . . . 74.0 110.051 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.07 -38.52 91.03 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 123.405 0.682 . . . . 82.7 110.77 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -61.26 -57.31 12.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.57 -0.53 . . . . 91.63 109.57 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' CYS . . . . . . . . . . . . . 19.7 t -46.3 -45.71 17.55 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 124.149 0.906 . . . . 70.37 112.362 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.25 -43.74 73.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.005 0.431 . . . . 106.96 110.166 -172.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.05 -40.0 58.15 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-O 121.857 0.699 . . . . 72.79 112.063 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' CYS . . . . . . . . . . . . . 44.7 t -72.63 -43.2 63.56 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 108.844 -0.798 . . . . 65.21 108.844 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.96 -39.31 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.025 -0.732 . . . . 67.89 109.025 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.43 -41.33 93.79 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 123.87 0.868 . . . . 72.05 111.356 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . 0.275 0.2 OUTLIER -78.54 -44.24 24.75 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 118.094 -1.442 . . . . 89.33 107.818 178.586 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.98 -43.65 66.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.653 0.661 . . . . 74.78 110.623 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.39 62.03 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.564 -0.744 . . . . 70.54 111.539 -173.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.33 -22.09 66.27 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.469 0.577 . . . . 89.55 111.295 173.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -113.08 -37.26 4.83 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.698 0.799 . . . . 84.5 111.901 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 1.5 t -133.65 169.26 22.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 N-CA-C 108.319 -0.993 . . . . 99.97 108.319 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.07 141.01 29.97 Favored 'General case' 0 N--CA 1.426 -1.653 0 C-N-CA 117.982 -1.487 . . . . 77.03 108.302 167.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.38 105.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.27 0 C-N-CA 125.405 1.482 . . . . 70.87 108.319 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.82 162.79 22.71 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.644 1.178 . . . . 99.53 110.799 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.09 161.58 34.86 Favored Pre-proline 0 N--CA 1.452 -0.326 0 N-CA-C 107.071 -1.455 . . . . 133.91 107.071 171.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -63.46 153.49 74.38 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 120.849 1.033 . . . . 102.49 113.516 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.466 0.374 0 C-N-CA 125.379 1.472 . . . . 150.41 108.887 -170.256 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 120.369 0.128 . . . . 129.59 110.844 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 60.7 mmm -69.3 -178.79 1.43 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.57 1.548 . . . . 132.36 111.485 -171.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.57 15.49 63.09 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-O 122.309 0.95 . . . . 91.18 111.584 167.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -111.79 -7.96 14.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.415 1.086 . . . . 97.59 109.857 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' B' ' 66' ' ' THR . 69.6 t -146.23 149.48 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 108.001 -1.111 . . . . 84.71 108.001 -172.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -117.02 144.59 44.43 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.187 -1.042 . . . . 70.62 108.187 160.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -138.5 143.87 39.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.927 -0.578 . . . . 79.42 109.569 -177.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -137.93 141.02 40.59 Favored 'General case' 0 C--O 1.248 1.015 0 N-CA-C 106.943 -1.503 . . . . 72.94 106.943 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.1 p -90.11 145.43 25.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 124.436 1.085 . . . . 73.15 109.49 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . 0.564 HD22 HG13 ' B' ' 118' ' ' VAL . 73.7 mt -111.51 146.05 37.97 Favored 'General case' 0 C--O 1.202 -1.4 0 C-N-CA 125.457 1.503 . . . . 67.2 109.582 -176.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -80.79 -44.93 17.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.701 -0.852 . . . . 112.63 108.701 170.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -143.83 152.79 41.64 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 122.55 0.34 . . . . 113.06 110.617 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TYR . . . . . 0.487 ' OH ' ' HG3' ' B' ' 27' ' ' ARG . 3.8 t80 -139.75 136.52 34.23 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 107.361 -1.348 . . . . 66.91 107.361 168.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.52 128.19 5.47 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.432 -0.667 . . . . 66.34 111.432 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ARG . . . . . 0.487 ' HG3' ' OH ' ' B' ' 25' ' ' TYR . 3.3 mtm-85 -95.08 124.26 39.03 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 125.564 1.546 . . . . 96.4 108.537 179.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -71.07 123.69 22.69 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 107.89 -1.152 . . . . 99.44 107.89 170.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' MET . . . . . 0.458 ' HE2' ' O ' ' B' ' 27' ' ' ARG . 2.4 tpp -93.12 -28.21 16.46 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.332 0.395 . . . . 106.32 110.448 -168.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.857 -0.794 . . . . 114.95 108.857 173.609 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.647 0 N-CA-C 111.003 -0.839 . . . . 103.99 111.003 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -111.63 85.41 6.01 Favored Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 123.15 0.58 . . . . 119.83 110.984 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.42 154.61 64.98 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.137 1.224 . . . . 87.74 110.581 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -91.69 -36.68 13.47 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.903 -0.59 . . . . 90.4 109.559 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -132.85 145.69 51.17 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.663 1.185 . . . . 77.69 109.882 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . 0.407 ' HB3' ' HE1' ' B' ' 29' ' ' MET . 35.3 ttmt -117.1 121.22 40.69 Favored 'General case' 0 N--CA 1.419 -2.022 0 N-CA-C 104.951 -2.24 . . . . 105.03 104.951 165.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -115.26 123.71 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 108.455 -0.942 . . . . 69.81 108.455 -167.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -109.97 141.04 43.31 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.531 -0.915 . . . . 73.54 108.531 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -130.42 154.32 47.84 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.811 -0.811 . . . . 100.29 108.811 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.4 m -75.08 106.45 6.6 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 124.221 0.951 . . . . 94.49 109.866 173.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.82 166.03 12.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.236 -1.024 . . . . 127.01 108.236 179.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -73.49 -41.35 63.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.883 -1.154 . . . . 147.46 107.883 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.61 -61.59 1.94 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.2 1.0 . . . . 156.62 110.544 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -52.24 -41.53 62.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.04 1.736 . . . . 129.76 111.571 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.78 163.33 25.06 Favored Glycine 0 N--CA 1.476 1.34 0 N-CA-C 110.987 -0.845 . . . . 99.23 110.987 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.2 p -92.41 149.85 21.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.134 0.969 . . . . 85.81 112.07 -169.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 47.2 mt -95.85 129.41 43.09 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.44 -1.254 . . . . 78.76 108.344 -175.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.9 t -131.07 132.36 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.086 0 N-CA-C 107.17 -1.419 . . . . 70.93 107.17 -176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.43 126.19 51.3 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.664 -1.606 . . . . 64.74 106.664 170.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' THR . . . . . 0.466 HG23 ' CG1' ' B' ' 17' ' ' VAL . 92.8 m -122.99 131.95 53.93 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.074 -1.084 . . . . 64.62 108.074 -172.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.0 mt -123.43 121.79 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 N-CA-C 108.152 -1.055 . . . . 62.83 108.152 169.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.7 t -90.86 145.66 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.481 -1.303 . . . . 71.03 107.481 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.51 -27.62 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.786 0.834 . . . . 101.83 111.757 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 49.6 p -70.46 -11.94 61.25 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 120.233 1.379 . . . . 106.26 111.315 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.31 19.28 9.51 Favored Glycine 0 N--CA 1.476 1.36 0 C-N-CA 125.499 1.523 . . . . 83.52 113.875 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -89.24 141.76 28.25 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.423 -1.045 . . . . 90.29 109.148 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.7 127.26 51.87 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.426 -1.324 . . . . 67.97 107.426 -172.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -133.44 148.51 51.77 Favored 'General case' 0 N--CA 1.436 -1.173 0 O-C-N 123.917 0.76 . . . . 60.16 110.225 175.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 mt -117.9 134.56 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.204 -1.362 . . . . 71.42 107.415 158.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . 0.41 ' HB3' HD23 ' B' ' 81' ' ' LEU . 98.9 p -137.9 145.12 41.72 Favored 'General case' 0 N--CA 1.422 -1.868 0 C-N-CA 120.151 -0.62 . . . . 78.59 109.342 -179.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -117.7 113.01 21.24 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.82 -1.548 . . . . 93.32 106.82 172.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.12 0.26 Allowed Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.023 -1.231 . . . . 110.37 110.023 -162.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -119.87 -8.27 9.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 118.981 -0.533 . . . . 157.46 111.482 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.9 135.75 37.08 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.254 -1.017 . . . . 110.17 108.254 173.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' B' ' 76' ' ' SER . 73.4 mt -95.34 113.88 25.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.192 -1.04 . . . . 83.91 108.192 177.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 82.1 mt -87.74 -26.17 23.05 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 115.115 -0.948 . . . . 75.28 109.893 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.75 143.99 24.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.677 -1.231 . . . . 94.41 107.677 -176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.5 109.43 0.34 Allowed Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.775 -0.726 . . . . 67.65 112.97 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -158.47 166.8 31.3 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.197 0.523 . . . . 74.7 110.188 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 45.5 t -85.83 140.55 30.33 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.343 -0.844 . . . . 74.35 109.237 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 57.7 mt -88.74 -19.99 25.36 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.802 0.689 . . . . 81.01 110.638 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.67 127.65 21.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 108.615 -0.883 . . . . 94.19 108.615 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.72 25.77 71.83 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.332 -0.849 . . . . 88.2 113.215 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' SER . . . . . 0.44 ' HA ' ' NE1' ' B' ' 93' ' ' TRP . 95.3 p -86.41 -12.94 47.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.966 0.506 . . . . 92.1 110.382 -178.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -47.6 -35.37 9.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.975 0.51 . . . . 144.43 110.604 169.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -74.51 -37.37 63.11 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.327 -0.368 . . . . 122.35 110.171 -171.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' TRP . . . . . 0.44 ' NE1' ' HA ' ' B' ' 90' ' ' SER . 67.8 p-90 -124.6 -12.36 7.19 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.615 0.968 . . . . 99.63 113.615 -166.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 18.5 tp -118.71 133.51 55.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.614 0.643 . . . . 78.67 111.384 -169.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -120.86 127.51 51.97 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 126.789 2.036 . . . . 114.72 107.935 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 79.4 mt -120.95 135.15 62.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.881 0 N-CA-C 108.922 -0.77 . . . . 69.67 108.922 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.39 134.93 62.82 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 O-C-N 123.889 0.743 . . . . 76.55 109.946 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -105.3 125.23 50.75 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 123.502 0.721 . . . . 77.12 110.211 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -116.98 105.18 12.04 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 124.978 1.311 . . . . 116.9 107.888 164.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 30.7 mtp 56.77 -110.95 0.58 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.679 1.192 . . . . 105.94 109.624 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -100.93 15.25 29.19 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 119.25 -0.405 . . . . 80.17 111.779 -174.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.34 150.61 38.54 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.0 0.92 . . . . 79.5 110.65 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 81.9 mt -121.7 135.78 54.95 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 124.024 0.827 . . . . 66.79 108.89 167.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -105.78 134.27 49.17 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.148 -1.427 . . . . 90.3 107.148 168.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' B' ' 115' ' ' MET . 48.3 m-85 -117.2 121.87 42.44 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.845 -1.168 . . . . 72.94 107.845 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.42 175.77 19.45 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.947 -0.461 . . . . 87.22 111.947 178.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 93' ' ' TRP . 49.9 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 124.298 1.039 . . . . 107.43 110.028 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' MET . . . . . 0.515 ' HA ' ' O ' ' B' ' 105' ' ' PHE . 43.3 ttm . . . . . 0 N--CA 1.439 -1.023 0 CA-C-O 122.591 1.186 . . . . 111.54 109.563 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.88 169.43 23.43 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.566 -1.272 . . . . 71.02 107.566 170.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -144.34 142.56 30.47 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.764 -1.569 . . . . 134.03 106.764 -166.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' VAL . . . . . 0.564 HG13 HD22 ' B' ' 22' ' ' LEU . 1.1 t -140.38 147.0 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 N-CA-C 107.559 -1.274 . . . . 72.33 107.559 -172.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -135.39 124.16 23.9 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.001 -1.111 . . . . 81.14 108.001 174.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.39 151.25 36.64 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 124.661 1.226 . . . . 69.22 108.706 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 3.1 p -94.3 169.42 10.24 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.223 0.535 . . . . 78.57 110.644 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 166.96 157.17 10.25 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.431 1.015 . . . . 84.01 110.728 173.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.83 -27.02 63.55 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.678 -0.489 . . . . 143.84 109.678 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 42.4 p -128.23 168.39 15.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.156 0.582 . . . . 95.41 110.343 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -60.34 -34.07 73.32 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.213 1.005 . . . . 130.86 111.263 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -65.46 -47.98 74.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.288 1.035 . . . . 167.01 111.523 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.85 -39.34 93.41 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.845 -0.798 . . . . 119.38 108.845 -175.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.38 75.75 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.407 -0.59 . . . . 63.99 109.407 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 34.2 tp -59.18 -41.97 89.72 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.052 -0.522 . . . . 74.0 110.051 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.07 -38.52 91.03 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 123.405 0.682 . . . . 82.7 110.77 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -61.26 -57.31 12.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.57 -0.53 . . . . 91.63 109.57 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' CYS . . . . . . . . . . . . . 19.7 t -46.3 -45.71 17.55 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 124.149 0.906 . . . . 70.37 112.362 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.25 -43.74 73.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.005 0.431 . . . . 106.96 110.166 -172.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.05 -40.0 58.15 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-O 121.857 0.699 . . . . 72.79 112.063 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' CYS . . . . . . . . . . . . . 44.7 t -72.63 -43.2 63.56 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 108.844 -0.798 . . . . 65.21 108.844 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.96 -39.31 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.025 -0.732 . . . . 67.89 109.025 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.43 -41.33 93.79 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 123.87 0.868 . . . . 72.05 111.356 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' THR . . . . . . . . . . . . 0.275 0.2 OUTLIER -78.54 -44.24 24.75 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 118.094 -1.442 . . . . 89.33 107.818 178.586 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 139' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.98 -43.65 66.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.653 0.661 . . . . 74.78 110.623 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.39 62.03 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.564 -0.744 . . . . 70.54 111.539 -173.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.33 -22.09 66.27 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.469 0.577 . . . . 89.55 111.295 173.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -113.08 -37.26 4.83 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.698 0.799 . . . . 84.5 111.901 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 1.5 t -133.65 169.26 22.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 N-CA-C 108.319 -0.993 . . . . 99.97 108.319 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.07 141.01 29.97 Favored 'General case' 0 N--CA 1.426 -1.653 0 C-N-CA 117.982 -1.487 . . . . 77.03 108.302 167.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.38 105.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.27 0 C-N-CA 125.405 1.482 . . . . 70.87 108.319 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.82 162.79 22.71 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.644 1.178 . . . . 99.53 110.799 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.09 161.58 34.86 Favored Pre-proline 0 N--CA 1.452 -0.326 0 N-CA-C 107.071 -1.455 . . . . 133.91 107.071 171.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -63.46 153.49 74.38 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 120.849 1.033 . . . . 102.49 113.516 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.466 0.374 0 C-N-CA 125.379 1.472 . . . . 150.41 108.887 -170.256 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 120.369 0.128 . . . . 129.59 110.844 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 60.7 mmm -69.3 -178.79 1.43 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.57 1.548 . . . . 132.36 111.485 -171.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.57 15.49 63.09 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-O 122.309 0.95 . . . . 91.18 111.584 167.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -111.79 -7.96 14.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.415 1.086 . . . . 97.59 109.857 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' B' ' 66' ' ' THR . 69.6 t -146.23 149.48 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 108.001 -1.111 . . . . 84.71 108.001 -172.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -117.02 144.59 44.43 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.187 -1.042 . . . . 70.62 108.187 160.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -138.5 143.87 39.74 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.927 -0.578 . . . . 79.42 109.569 -177.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -137.93 141.02 40.59 Favored 'General case' 0 C--O 1.248 1.015 0 N-CA-C 106.943 -1.503 . . . . 72.94 106.943 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.1 p -90.11 145.43 25.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 124.436 1.085 . . . . 73.15 109.49 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.564 HD22 HG13 ' B' ' 118' ' ' VAL . 73.7 mt -111.51 146.05 37.97 Favored 'General case' 0 C--O 1.202 -1.4 0 C-N-CA 125.457 1.503 . . . . 67.2 109.582 -176.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -80.79 -44.93 17.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.701 -0.852 . . . . 112.63 108.701 170.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -143.83 152.79 41.64 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 122.55 0.34 . . . . 113.06 110.617 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TYR . . . . . 0.487 ' OH ' ' HG3' ' B' ' 27' ' ' ARG . 3.8 t80 -139.75 136.52 34.23 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 107.361 -1.348 . . . . 66.91 107.361 168.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.52 128.19 5.47 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.432 -0.667 . . . . 66.34 111.432 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.487 ' HG3' ' OH ' ' B' ' 25' ' ' TYR . 3.3 mtm-85 -95.08 124.26 39.03 Favored 'General case' 0 C--O 1.214 -0.765 0 C-N-CA 125.564 1.546 . . . . 96.4 108.537 179.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -71.07 123.69 22.69 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 107.89 -1.152 . . . . 99.44 107.89 170.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' MET . . . . . 0.458 ' HE2' ' O ' ' B' ' 27' ' ' ARG . 2.4 tpp -93.12 -28.21 16.46 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.332 0.395 . . . . 106.32 110.448 -168.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.857 -0.794 . . . . 114.95 108.857 173.609 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.647 0 N-CA-C 111.003 -0.839 . . . . 103.99 111.003 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.5 m -111.63 85.41 6.01 Favored Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 123.15 0.58 . . . . 119.83 110.984 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.42 154.61 64.98 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.137 1.224 . . . . 87.74 110.581 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -91.69 -36.68 13.47 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.903 -0.59 . . . . 90.4 109.559 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -132.85 145.69 51.17 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.663 1.185 . . . . 77.69 109.882 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.407 ' HB3' ' HE1' ' B' ' 29' ' ' MET . 35.3 ttmt -117.1 121.22 40.69 Favored 'General case' 0 N--CA 1.419 -2.022 0 N-CA-C 104.951 -2.24 . . . . 105.03 104.951 165.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.1 t -115.26 123.71 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 108.455 -0.942 . . . . 69.81 108.455 -167.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -109.97 141.04 43.31 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.531 -0.915 . . . . 73.54 108.531 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -130.42 154.32 47.84 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.811 -0.811 . . . . 100.29 108.811 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.4 m -75.08 106.45 6.6 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 124.221 0.951 . . . . 94.49 109.866 173.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.82 166.03 12.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.236 -1.024 . . . . 127.01 108.236 179.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -73.49 -41.35 63.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.883 -1.154 . . . . 147.46 107.883 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.61 -61.59 1.94 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.2 1.0 . . . . 156.62 110.544 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -52.24 -41.53 62.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.04 1.736 . . . . 129.76 111.571 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.78 163.33 25.06 Favored Glycine 0 N--CA 1.476 1.34 0 N-CA-C 110.987 -0.845 . . . . 99.23 110.987 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.2 p -92.41 149.85 21.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 122.134 0.969 . . . . 85.81 112.07 -169.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 47.2 mt -95.85 129.41 43.09 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.44 -1.254 . . . . 78.76 108.344 -175.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 88.9 t -131.07 132.36 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.086 0 N-CA-C 107.17 -1.419 . . . . 70.93 107.17 -176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.43 126.19 51.3 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 106.664 -1.606 . . . . 64.74 106.664 170.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' THR . . . . . 0.466 HG23 ' CG1' ' B' ' 17' ' ' VAL . 92.8 m -122.99 131.95 53.93 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.074 -1.084 . . . . 64.62 108.074 -172.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.0 mt -123.43 121.79 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 N-CA-C 108.152 -1.055 . . . . 62.83 108.152 169.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.7 t -90.86 145.66 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.481 -1.303 . . . . 71.03 107.481 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.51 -27.62 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.786 0.834 . . . . 101.83 111.757 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 49.6 p -70.46 -11.94 61.25 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 120.233 1.379 . . . . 106.26 111.315 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.31 19.28 9.51 Favored Glycine 0 N--CA 1.476 1.36 0 C-N-CA 125.499 1.523 . . . . 83.52 113.875 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -89.24 141.76 28.25 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.423 -1.045 . . . . 90.29 109.148 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.7 127.26 51.87 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.426 -1.324 . . . . 67.97 107.426 -172.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -133.44 148.51 51.77 Favored 'General case' 0 N--CA 1.436 -1.173 0 O-C-N 123.917 0.76 . . . . 60.16 110.225 175.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 mt -117.9 134.56 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.204 -1.362 . . . . 71.42 107.415 158.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . 0.41 ' HB3' HD23 ' B' ' 81' ' ' LEU . 98.9 p -137.9 145.12 41.72 Favored 'General case' 0 N--CA 1.422 -1.868 0 C-N-CA 120.151 -0.62 . . . . 78.59 109.342 -179.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -117.7 113.01 21.24 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.82 -1.548 . . . . 93.32 106.82 172.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.12 0.26 Allowed Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.023 -1.231 . . . . 110.37 110.023 -162.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -119.87 -8.27 9.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 118.981 -0.533 . . . . 157.46 111.482 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.9 135.75 37.08 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.254 -1.017 . . . . 110.17 108.254 173.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' B' ' 76' ' ' SER . 73.4 mt -95.34 113.88 25.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.192 -1.04 . . . . 83.91 108.192 177.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 82.1 mt -87.74 -26.17 23.05 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 115.115 -0.948 . . . . 75.28 109.893 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.75 143.99 24.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.677 -1.231 . . . . 94.41 107.677 -176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.5 109.43 0.34 Allowed Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.775 -0.726 . . . . 67.65 112.97 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -158.47 166.8 31.3 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.197 0.523 . . . . 74.7 110.188 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 45.5 t -85.83 140.55 30.33 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.343 -0.844 . . . . 74.35 109.237 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 57.7 mt -88.74 -19.99 25.36 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.802 0.689 . . . . 81.01 110.638 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.67 127.65 21.84 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 N-CA-C 108.615 -0.883 . . . . 94.19 108.615 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.72 25.77 71.83 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.332 -0.849 . . . . 88.2 113.215 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' SER . . . . . 0.44 ' HA ' ' NE1' ' B' ' 93' ' ' TRP . 95.3 p -86.41 -12.94 47.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.966 0.506 . . . . 92.1 110.382 -178.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -47.6 -35.37 9.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.975 0.51 . . . . 144.43 110.604 169.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -74.51 -37.37 63.11 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.327 -0.368 . . . . 122.35 110.171 -171.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' TRP . . . . . 0.44 ' NE1' ' HA ' ' B' ' 90' ' ' SER . 67.8 p-90 -124.6 -12.36 7.19 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.615 0.968 . . . . 99.63 113.615 -166.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 18.5 tp -118.71 133.51 55.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.614 0.643 . . . . 78.67 111.384 -169.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -120.86 127.51 51.97 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 126.789 2.036 . . . . 114.72 107.935 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 79.4 mt -120.95 135.15 62.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.881 0 N-CA-C 108.922 -0.77 . . . . 69.67 108.922 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.39 134.93 62.82 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 O-C-N 123.889 0.743 . . . . 76.55 109.946 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -105.3 125.23 50.75 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 123.502 0.721 . . . . 77.12 110.211 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -116.98 105.18 12.04 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 124.978 1.311 . . . . 116.9 107.888 164.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 30.7 mtp 56.77 -110.95 0.58 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.679 1.192 . . . . 105.94 109.624 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -100.93 15.25 29.19 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 119.25 -0.405 . . . . 80.17 111.779 -174.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.34 150.61 38.54 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.0 0.92 . . . . 79.5 110.65 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 81.9 mt -121.7 135.78 54.95 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 124.024 0.827 . . . . 66.79 108.89 167.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -105.78 134.27 49.17 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.148 -1.427 . . . . 90.3 107.148 168.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' B' ' 115' ' ' MET . 48.3 m-85 -117.2 121.87 42.44 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.845 -1.168 . . . . 72.94 107.845 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.42 175.77 19.45 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.947 -0.461 . . . . 87.22 111.947 178.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 93' ' ' TRP . 49.9 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 124.298 1.039 . . . . 107.43 110.028 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' MET . . . . . 0.515 ' HA ' ' O ' ' B' ' 105' ' ' PHE . 43.3 ttm . . . . . 0 N--CA 1.439 -1.023 0 CA-C-O 122.591 1.186 . . . . 111.54 109.563 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.88 169.43 23.43 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.566 -1.272 . . . . 71.02 107.566 170.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -144.34 142.56 30.47 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 106.764 -1.569 . . . . 134.03 106.764 -166.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.564 HG13 HD22 ' B' ' 22' ' ' LEU . 1.1 t -140.38 147.0 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 N-CA-C 107.559 -1.274 . . . . 72.33 107.559 -172.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -135.39 124.16 23.9 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.001 -1.111 . . . . 81.14 108.001 174.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.39 151.25 36.64 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 124.661 1.226 . . . . 69.22 108.706 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 3.1 p -94.3 169.42 10.24 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.223 0.535 . . . . 78.57 110.644 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 166.96 157.17 10.25 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.431 1.015 . . . . 84.01 110.728 173.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.83 -27.02 63.55 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.678 -0.489 . . . . 143.84 109.678 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 42.4 p -128.23 168.39 15.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.156 0.582 . . . . 95.41 110.343 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -60.34 -34.07 73.32 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.213 1.005 . . . . 130.86 111.263 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -65.46 -47.98 74.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.288 1.035 . . . . 167.01 111.523 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.85 -39.34 93.41 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.845 -0.798 . . . . 119.38 108.845 -175.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.38 75.75 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.407 -0.59 . . . . 63.99 109.407 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 34.2 tp -59.18 -41.97 89.72 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.052 -0.522 . . . . 74.0 110.051 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.07 -38.52 91.03 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 123.405 0.682 . . . . 82.7 110.77 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -61.26 -57.31 12.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.57 -0.53 . . . . 91.63 109.57 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' CYS . . . . . . . . . . . . . 19.7 t -46.3 -45.71 17.55 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 124.149 0.906 . . . . 70.37 112.362 178.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' CYS . . . . . . . . . . . . . 49.8 t -69.25 -43.74 73.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.005 0.431 . . . . 106.96 110.166 -172.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.05 -40.0 58.15 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-O 121.857 0.699 . . . . 72.79 112.063 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' CYS . . . . . . . . . . . . . 44.7 t -72.63 -43.2 63.56 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 108.844 -0.798 . . . . 65.21 108.844 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.96 -39.31 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.025 -0.732 . . . . 67.89 109.025 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.43 -41.33 93.79 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 123.87 0.868 . . . . 72.05 111.356 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' THR . . . . . . . . . . . . 0.275 0.2 OUTLIER -78.54 -44.24 24.75 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 118.094 -1.442 . . . . 89.33 107.818 178.586 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.98 -43.65 66.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.653 0.661 . . . . 74.78 110.623 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.39 62.03 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.564 -0.744 . . . . 70.54 111.539 -173.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.33 -22.09 66.27 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.469 0.577 . . . . 89.55 111.295 173.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -113.08 -37.26 4.83 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.698 0.799 . . . . 84.5 111.901 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' VAL . . . . . . . . . . . . . 1.5 t -133.65 169.26 22.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 N-CA-C 108.319 -0.993 . . . . 99.97 108.319 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.07 141.01 29.97 Favored 'General case' 0 N--CA 1.426 -1.653 0 C-N-CA 117.982 -1.487 . . . . 77.03 108.302 167.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.38 105.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.27 0 C-N-CA 125.405 1.482 . . . . 70.87 108.319 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.82 162.79 22.71 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.644 1.178 . . . . 99.53 110.799 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.09 161.58 34.86 Favored Pre-proline 0 N--CA 1.452 -0.326 0 N-CA-C 107.071 -1.455 . . . . 133.91 107.071 171.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -63.46 153.49 74.38 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 120.849 1.033 . . . . 102.49 113.516 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.466 0.374 0 C-N-CA 125.379 1.472 . . . . 150.41 108.887 -170.256 . . . . . . . . 0 0 . 1 stop_ save_