data_6roy_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 6roy _Structure_validation_residue.Date_analyzed 2020-02-14 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 ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 119.685 -0.197 . . . . 103.99 110.864 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 47.51 60.71 3.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.39 1.076 . . . . 84.45 112.887 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -58.52 -33.26 69.66 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.406 1.261 . . . . 97.36 114.406 -170.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -65.05 -14.62 60.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.463 2.023 . . . . 27.02 116.463 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -83.04 123.74 29.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.538 0.94 . . . . 53.9 113.538 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -110.93 99.91 44.45 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 107.532 -1.284 . . . . 27.66 107.532 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.14 -19.36 29.82 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 115.983 1.493 . . . . 40.54 115.983 -171.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -122.38 28.55 7.37 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.373 0.879 . . . . 88.73 113.373 -167.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tt -119.91 143.11 32.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-O 120.716 0.293 . . . . 79.49 110.416 -172.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -93.32 174.32 7.27 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.832 -0.433 . . . . 77.78 109.832 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.49 94.0 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 115.098 0.799 . . . . 36.3 115.098 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.9 t -71.01 -39.76 75.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.244 -0.65 . . . . 52.0 109.244 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.22 -44.87 82.59 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.646 -0.252 . . . . 63.98 111.284 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.54 66.16 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 120.988 0.423 . . . . 32.25 111.127 173.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.24 -55.91 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 49.53 110.779 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -55.59 -45.91 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 87.96 112.022 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.79 -51.13 70.86 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.703 -0.68 . . . . 39.9 111.085 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.98 -36.72 77.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.467 0.544 . . . . 28.86 112.467 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.26 -36.29 66.35 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.568 0.951 . . . . 48.31 113.568 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.6 p -81.27 -55.89 4.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.354 -0.385 . . . . 48.56 110.047 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -90.6 -25.12 20.33 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 116.021 1.86 . . . . 72.49 116.021 -169.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.04 177.19 35.12 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 115.574 0.99 . . . . 43.1 115.574 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.83 166.41 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 107.46 -1.311 . . . . 38.55 107.46 167.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -56.18 131.39 47.66 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.689 -0.856 . . . . 51.75 108.689 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.86 61.3 Favored Glycine 0 N--CA 1.469 0.859 0 CA-C-N 116.404 -0.362 . . . . 20.66 113.724 -167.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.0 m -74.13 144.38 44.92 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.001 -1.111 . . . . 21.62 108.001 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -151.44 164.19 37.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.973 -0.558 . . . . 15.08 109.871 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.38 162.44 41.17 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.949 -1.023 . . . . 19.86 108.918 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.98 148.97 33.95 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.087 -0.961 . . . . 19.24 108.709 170.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -146.67 166.56 16.18 Favored Pre-proline 0 C--O 1.253 1.244 0 CA-C-N 114.836 -1.074 . . . . 31.27 109.987 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -67.17 144.57 69.52 Favored 'Trans proline' 0 C--N 1.357 1.025 0 O-C-N 123.386 1.203 . . . . 32.13 110.118 172.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.8 t -71.91 137.16 47.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.952 -0.759 . . . . 38.18 108.952 174.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -87.21 -44.66 11.3 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.217 -0.66 . . . . 76.68 109.217 167.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -59.07 -27.64 65.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.988 1.477 . . . . 66.16 114.988 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -147.32 95.88 4.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 112.902 0.704 . . . . 65.57 112.902 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -55.48 131.55 46.87 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.374 1.383 . . . . 63.54 114.144 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.35 -42.29 1.97 Allowed Glycine 0 C--O 1.223 -0.56 0 N-CA-C 110.702 -0.959 . . . . 44.49 110.702 -172.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.89 173.64 6.14 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 122.467 1.127 . . . . 36.79 113.333 175.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -126.96 175.03 8.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 114.439 -1.255 . . . . 40.63 109.258 172.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -141.77 138.58 32.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.287 -0.87 . . . . 23.86 110.257 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -97.85 135.84 39.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 106.554 -1.647 . . . . 18.69 106.554 172.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.7 m -124.27 124.71 43.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 105.762 -1.94 . . . . 18.35 105.762 175.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 123.64 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 123.925 0.765 . . . . 18.54 110.753 -165.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -82.6 132.27 35.19 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.727 -0.471 . . . . 44.21 109.727 174.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -157.72 129.12 6.75 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.792 -0.818 . . . . 57.45 108.792 -177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 50.62 35.89 12.65 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.103 1.149 . . . . 74.51 114.103 -176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.36 90.06 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 116.346 1.298 . . . . 51.4 116.346 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.0 169.09 17.33 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 117.893 0.846 . . . . 50.04 109.457 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.17 128.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 O-C-N 123.838 0.711 . . . . 31.52 112.026 -174.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 p -106.47 145.85 31.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.381 -0.6 . . . . 33.72 109.381 169.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -115.56 139.18 50.32 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.657 -0.702 . . . . 31.93 109.262 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.8 mm -127.45 123.27 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 124.114 0.966 . . . . 31.91 109.671 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.44 135.46 50.25 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.528 0.566 . . . . 63.12 112.528 178.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.4 mt -114.02 117.75 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 123.09 0.556 . . . . 23.6 109.581 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.19 126.56 30.98 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 110.439 -0.208 . . . . 37.02 110.439 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -114.91 103.8 11.29 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.944 -1.502 . . . . 47.36 106.944 164.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.8 p -78.34 -19.41 53.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.832 -1.076 . . . . 136.32 111.693 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.57 -39.89 2.74 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 109.724 -1.35 . . . . 78.67 109.724 -168.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -79.77 -59.29 2.79 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.703 0.801 . . . . 123.14 110.451 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -139.99 172.57 12.58 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.703 0.801 . . . . 50.23 111.031 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -113.87 142.5 46.03 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.334 1.053 . . . . 49.12 111.535 173.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -156.8 -170.45 3.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.162 -0.472 . . . . 27.89 110.634 169.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.46 43.12 1.56 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 120.849 0.356 . . . . 19.92 110.712 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 52.92 56.03 8.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.212 -1.033 . . . . 32.36 108.212 -172.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.75 177.65 14.98 Favored Glycine 0 C--O 1.249 1.062 0 N-CA-C 108.118 -1.993 . . . . 24.8 108.118 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.03 -172.18 54.32 Favored Glycine 0 C--O 1.227 -0.295 0 N-CA-C 109.87 -1.292 . . . . 25.9 109.87 -176.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -72.66 151.1 42.44 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 121.078 0.466 . . . . 73.26 111.232 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -104.54 147.52 27.51 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.226 1.01 . . . . 44.71 110.319 -175.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -136.54 151.86 49.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.964 0.411 . . . . 40.37 110.682 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.17 93.86 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.662 -0.699 . . . . 56.26 111.802 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -130.56 163.18 27.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.706 1.002 . . . . 47.07 113.706 -173.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.89 -41.24 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.747 -1.115 . . . . 35.43 111.799 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.94 -35.01 79.27 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.117 0.784 . . . . 30.47 113.117 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.63 -40.71 92.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.477 -0.329 . . . . 57.43 111.411 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.176 -0.465 . . . . 21.36 110.557 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -48.56 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 O-C-N 123.474 0.484 . . . . 16.5 111.793 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -60.35 -40.95 92.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.562 0.539 . . . . 51.94 110.835 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.99 -44.45 94.52 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 120.947 -0.301 . . . . 24.15 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -77.45 -22.87 50.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.48 0.918 . . . . 16.29 113.48 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 91.6 mtp -65.87 -34.76 78.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.416 0.286 . . . . 19.25 110.556 169.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -101.43 -0.81 34.63 Favored 'General case' 0 C--O 1.248 1.015 0 N-CA-C 115.78 1.77 . . . . 28.59 115.78 -172.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -138.78 72.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.286 -1.005 . . . . 27.69 108.286 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -62.95 -31.97 73.18 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.489 0.922 . . . . 58.14 113.489 -166.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.43 -17.22 72.32 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 114.853 0.701 . . . . 28.33 114.853 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -77.8 -17.89 56.96 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 115.321 1.6 . . . . 39.91 115.321 -175.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 tp -111.77 103.5 11.77 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.016 -0.735 . . . . 26.01 109.016 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 146.46 39.48 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 120.623 0.249 . . . . 62.84 110.429 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -78.53 179.21 7.21 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.758 -0.777 . . . . 53.76 110.16 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -59.01 -39.07 80.73 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.819 0.674 . . . . 59.74 112.819 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -69.65 -5.39 24.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.759 1.763 . . . . 71.69 115.759 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.54 -11.63 58.07 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 114.616 0.606 . . . . 32.91 114.616 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -72.94 129.25 37.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 117.452 0.626 . . . . 34.8 111.32 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.96 152.68 9.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 O-C-N 124.109 0.881 . . . . 22.83 109.929 170.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.1 mt -113.92 103.62 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 102.707 -3.071 . . . . 16.97 102.707 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.38 120.69 37.15 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.106 -0.474 . . . . 23.06 111.824 -166.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 mt -92.98 87.79 5.9 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 124.42 1.075 . . . . 14.26 109.206 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -95.7 -51.45 4.51 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.18 0.807 . . . . 26.07 113.18 -173.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -124.4 102.99 32.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.289 -0.869 . . . . 27.81 109.696 -164.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.91 122.34 9.24 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 N-CA-C 107.813 -1.649 . . . . 20.53 107.813 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tt -83.45 115.27 21.98 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.898 -1.519 . . . . 24.6 106.898 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -72.29 151.29 42.89 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.942 0.497 . . . . 45.3 111.298 -178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 123.463 1.601 . . . . 48.06 106.778 173.149 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' -1' ' ' VAL . . . . . . . . . . . . . 51.9 t . . . . . 0 N--CA 1.503 2.205 0 CA-C-O 118.18 -0.914 . . . . 65.04 108.94 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 0' ' ' ASP . . . . . . . . . . . . 0.324 2.3 t70 78.87 94.02 0.06 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 129.806 3.242 . . . . 155.6 112.998 7.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.68 150.72 50.93 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 116.596 -0.274 . . . . 48.4 113.437 -173.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.76 135.69 39.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.383 -0.969 . . . . 53.0 108.383 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 60.4 mt -104.78 141.01 37.25 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.205 1.557 . . . . 33.07 115.205 -172.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -100.21 115.56 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.779 -1.563 . . . . 42.68 106.779 169.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -93.06 154.15 18.27 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.601 0.222 . . . . 43.91 111.601 170.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 116.366 1.988 . . . . 63.3 116.366 -169.427 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 119.575 -0.25 . . . . 97.78 110.863 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 47.74 60.75 3.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.328 1.051 . . . . 76.65 112.878 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -58.68 -33.35 70.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.48 1.289 . . . . 113.59 114.48 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -65.03 -14.42 60.38 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 116.43 2.011 . . . . 29.69 116.43 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -83.23 123.66 29.8 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.412 0.893 . . . . 50.96 113.412 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -111.03 99.11 41.7 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.665 -1.235 . . . . 28.67 107.665 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.16 -19.22 29.91 Favored 'Trans proline' 0 C--N 1.352 0.728 0 N-CA-C 115.854 1.444 . . . . 39.85 115.854 -171.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -122.53 29.22 7.0 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.347 0.869 . . . . 80.27 113.347 -167.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 tp -120.64 143.15 33.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 110.093 -0.336 . . . . 53.3 110.093 -172.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.67 174.48 7.17 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.819 -0.438 . . . . 75.27 109.819 172.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.15 93.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 115.156 0.822 . . . . 39.95 115.156 -178.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -71.16 -39.66 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 109.214 -0.661 . . . . 56.21 109.214 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.57 -44.54 81.98 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.53 -0.305 . . . . 57.31 111.18 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.57 -45.28 66.36 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.931 0.396 . . . . 32.96 111.034 173.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -59.54 -55.96 28.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.769 -0.65 . . . . 52.87 110.528 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.17 -46.22 75.75 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 61.21 111.844 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.83 -50.86 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.724 -0.671 . . . . 39.58 111.401 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.12 -36.65 77.95 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.489 0.552 . . . . 30.87 112.489 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.4 mt -73.23 -36.33 66.42 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.546 0.943 . . . . 58.32 113.546 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.1 p -81.31 -55.79 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.404 -0.362 . . . . 52.39 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -90.46 -25.28 20.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 116.117 1.895 . . . . 92.82 116.117 -170.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 177.34 35.46 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 115.829 1.092 . . . . 43.08 115.829 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.11 166.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.286 -1.375 . . . . 38.37 107.286 167.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -56.13 131.49 47.79 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.675 -0.861 . . . . 44.57 108.675 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.78 62.05 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 114.045 0.378 . . . . 21.24 114.045 -166.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -74.11 144.63 44.85 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.852 -1.166 . . . . 22.31 107.852 177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.65 164.47 36.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.882 -0.599 . . . . 15.27 109.948 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.7 162.33 41.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.793 -1.094 . . . . 20.39 108.838 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.76 149.12 33.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.034 -0.985 . . . . 19.63 108.71 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -146.92 166.65 15.71 Favored Pre-proline 0 C--O 1.251 1.169 0 CA-C-N 114.91 -1.041 . . . . 30.93 109.731 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.93 144.36 70.09 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 123.358 1.188 . . . . 33.37 110.154 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -71.05 137.62 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.486 -0.561 . . . . 38.63 109.486 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -85.62 -46.96 10.28 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.744 -0.836 . . . . 65.79 108.744 168.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -60.09 -27.44 67.01 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.883 1.438 . . . . 70.02 114.883 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -147.49 95.91 4.24 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 113.067 0.766 . . . . 66.35 113.067 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -54.77 131.62 47.04 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.537 1.491 . . . . 73.58 114.125 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.83 -43.61 1.66 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.282 -1.127 . . . . 49.78 110.282 -172.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -70.03 173.5 6.44 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 122.432 1.111 . . . . 38.12 113.386 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -126.9 174.93 8.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.377 -1.283 . . . . 42.53 109.305 172.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -141.48 138.5 32.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.143 -0.935 . . . . 23.74 110.342 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.63 135.68 39.09 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 106.606 -1.627 . . . . 25.44 106.606 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -123.93 124.74 43.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.809 -1.923 . . . . 18.7 105.809 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 t -130.72 123.54 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.898 0.749 . . . . 18.64 110.726 -165.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -82.7 132.25 35.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.666 -0.494 . . . . 48.83 109.666 174.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ARG . . . . . 0.63 ' NH2' ' OE2' ' B' ' 90' ' ' GLU . 5.5 ttp180 -157.39 129.21 7.04 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.808 -0.812 . . . . 53.91 108.808 -177.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m120 50.77 35.72 12.72 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.964 1.098 . . . . 64.33 113.964 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.17 90.22 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 116.265 1.266 . . . . 52.72 116.265 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.92 169.07 17.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 118.032 0.916 . . . . 44.06 109.579 174.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.05 128.45 72.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 123.796 0.685 . . . . 31.45 111.927 -174.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 1.2 p -106.08 145.97 30.76 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 123.583 0.552 . . . . 33.0 109.629 168.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -115.35 139.21 50.19 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.67 -0.695 . . . . 29.23 109.253 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 36.7 mm -127.23 123.23 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.092 0.957 . . . . 27.46 109.602 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -69.44 135.55 50.38 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.795 0.665 . . . . 42.88 112.795 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 76.5 mt -113.97 117.58 55.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 123.212 0.605 . . . . 23.9 109.46 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -78.11 126.51 30.92 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.739 -0.21 . . . . 38.09 110.565 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -114.89 103.87 11.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 106.95 -1.5 . . . . 48.13 106.95 164.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.4 p -78.32 -19.49 53.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 123.98 111.695 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.58 -39.92 2.73 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.706 -1.358 . . . . 75.26 109.706 -168.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.72 -59.23 2.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.801 0.84 . . . . 125.83 110.347 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -139.9 172.54 12.62 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.65 0.78 . . . . 50.52 111.027 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -113.84 142.56 45.94 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 124.456 1.102 . . . . 49.68 111.607 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -156.81 -170.65 3.38 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 116.166 -0.47 . . . . 28.26 110.612 169.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 mt -111.57 43.42 1.52 Allowed 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 120.851 0.358 . . . . 19.87 110.65 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 52.9 56.0 8.18 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.054 -1.091 . . . . 33.02 108.054 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 177.44 14.87 Favored Glycine 0 C--O 1.252 1.28 0 N-CA-C 108.179 -1.968 . . . . 24.96 108.179 -174.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.78 -172.12 54.14 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 109.983 -1.247 . . . . 26.31 109.983 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.0 151.08 43.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 64.51 111.945 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -104.86 147.29 27.9 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.201 1.001 . . . . 50.14 110.237 -174.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -136.38 151.76 49.9 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.875 0.369 . . . . 39.58 110.725 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.04 93.41 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.736 -0.666 . . . . 52.23 111.599 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -130.55 163.37 27.22 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 113.805 1.039 . . . . 48.6 113.805 -173.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 34.22 111.766 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.39 80.27 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.358 0.873 . . . . 30.71 113.358 179.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.79 -40.56 92.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.411 -0.359 . . . . 52.4 111.293 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.24 -49.76 68.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.33 -0.395 . . . . 21.54 110.491 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.13 -48.58 88.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 123.594 0.559 . . . . 16.48 111.716 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -60.3 -41.06 92.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.422 0.451 . . . . 55.04 110.748 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.13 -44.33 95.01 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 120.824 -0.35 . . . . 24.87 111.166 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -77.55 -22.68 50.65 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.547 0.943 . . . . 16.29 113.547 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 92.4 mtp -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.558 0.343 . . . . 18.33 110.612 169.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -101.33 -0.78 34.97 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.762 1.764 . . . . 29.68 115.762 -172.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -138.84 71.33 1.38 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.153 -1.054 . . . . 28.84 108.153 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -63.07 -31.51 72.66 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.345 0.869 . . . . 106.44 113.345 -166.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.77 -18.2 70.07 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 115.364 0.905 . . . . 29.35 115.364 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.72 -17.89 57.14 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.504 1.668 . . . . 38.89 115.504 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 tp -112.34 103.85 11.99 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.659 -0.867 . . . . 27.57 108.659 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 149.01 42.73 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.389 -0.369 . . . . 63.72 110.631 -179.814 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLU . . . . . 0.63 ' OE2' ' NH2' ' B' ' 47' ' ' ARG . 17.4 mt-10 -73.83 176.07 6.69 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.674 -0.491 . . . . 42.54 109.674 170.631 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -57.38 -39.21 75.57 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.689 0.626 . . . . 66.19 112.689 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASN . . . . . 0.498 ' ND2' ' OE1' ' B' ' 90' ' ' GLU . 27.7 p30 -69.08 -5.47 22.28 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.042 1.868 . . . . 66.79 116.042 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.58 58.5 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.983 0.753 . . . . 33.56 114.983 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -74.05 129.46 37.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 117.32 0.56 . . . . 35.91 110.461 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.21 152.99 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.896 0.747 . . . . 23.31 109.735 171.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.6 103.64 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 102.284 -3.228 . . . . 16.57 102.284 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -96.26 121.03 37.6 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 119.201 -0.428 . . . . 26.29 111.876 -166.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 37.9 mt -93.05 88.15 6.0 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 124.446 1.092 . . . . 14.43 109.166 175.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -95.77 -51.72 4.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.769 0.655 . . . . 27.39 112.769 -173.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -124.19 102.87 33.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 29.0 109.875 -164.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.86 122.34 9.25 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 N-CA-C 107.839 -1.639 . . . . 21.04 107.839 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 36.3 tp -83.13 115.01 21.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.167 -1.42 . . . . 25.65 107.167 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -72.13 151.59 42.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.212 0.53 . . . . 44.57 111.494 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.512 -0.5 0 N-CA-C 105.674 -1.973 . . . . 47.75 105.674 173.856 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' -1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.738 0.304 . . . . 75.03 110.526 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.5 140.24 42.68 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.181 1.178 . . . . 67.71 114.181 -173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.82 149.68 51.61 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 114.0 0.36 . . . . 50.68 114.0 -172.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.96 39.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.59 -1.263 . . . . 73.21 107.59 -179.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.78 147.41 27.32 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 116.127 1.899 . . . . 34.13 116.127 -175.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.62 113.98 27.8 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.38 -1.341 . . . . 50.87 107.38 170.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -92.93 151.47 19.92 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 120.713 0.292 . . . . 53.95 111.241 170.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 112.04 0.385 . . . . 84.77 112.04 -177.445 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 119.685 -0.197 . . . . 103.99 110.864 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 47.51 60.71 3.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.39 1.076 . . . . 84.45 112.887 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -58.52 -33.26 69.66 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.406 1.261 . . . . 97.36 114.406 -170.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -65.05 -14.62 60.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.463 2.023 . . . . 27.02 116.463 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -83.04 123.74 29.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.538 0.94 . . . . 53.9 113.538 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -110.93 99.91 44.45 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 107.532 -1.284 . . . . 27.66 107.532 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.14 -19.36 29.82 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 115.983 1.493 . . . . 40.54 115.983 -171.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -122.38 28.55 7.37 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.373 0.879 . . . . 88.73 113.373 -167.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tt -119.91 143.11 32.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-O 120.716 0.293 . . . . 79.49 110.416 -172.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -93.32 174.32 7.27 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.832 -0.433 . . . . 77.78 109.832 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.49 94.0 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 115.098 0.799 . . . . 36.3 115.098 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.9 t -71.01 -39.76 75.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.244 -0.65 . . . . 52.0 109.244 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.22 -44.87 82.59 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.646 -0.252 . . . . 63.98 111.284 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.54 66.16 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 120.988 0.423 . . . . 32.25 111.127 173.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.24 -55.91 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 49.53 110.779 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -55.59 -45.91 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 87.96 112.022 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.79 -51.13 70.86 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.703 -0.68 . . . . 39.9 111.085 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.98 -36.72 77.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.467 0.544 . . . . 28.86 112.467 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.26 -36.29 66.35 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.568 0.951 . . . . 48.31 113.568 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.6 p -81.27 -55.89 4.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.354 -0.385 . . . . 48.56 110.047 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -90.6 -25.12 20.33 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 116.021 1.86 . . . . 72.49 116.021 -169.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.04 177.19 35.12 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 115.574 0.99 . . . . 43.1 115.574 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.83 166.41 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 107.46 -1.311 . . . . 38.55 107.46 167.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -56.18 131.39 47.66 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.689 -0.856 . . . . 51.75 108.689 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.86 61.3 Favored Glycine 0 N--CA 1.469 0.859 0 CA-C-N 116.404 -0.362 . . . . 20.66 113.724 -167.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 100' ' ' TYR . 64.0 m -74.13 144.38 44.92 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.001 -1.111 . . . . 21.62 108.001 177.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -151.44 164.19 37.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.973 -0.558 . . . . 15.08 109.871 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.38 162.44 41.17 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.949 -1.023 . . . . 19.86 108.918 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.98 148.97 33.95 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.087 -0.961 . . . . 19.24 108.709 170.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -146.67 166.56 16.18 Favored Pre-proline 0 C--O 1.253 1.244 0 CA-C-N 114.836 -1.074 . . . . 31.27 109.987 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -67.17 144.57 69.52 Favored 'Trans proline' 0 C--N 1.357 1.025 0 O-C-N 123.386 1.203 . . . . 32.13 110.118 172.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.8 t -71.91 137.16 47.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.952 -0.759 . . . . 38.18 108.952 174.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -87.21 -44.66 11.3 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.217 -0.66 . . . . 76.68 109.217 167.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -59.07 -27.64 65.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.988 1.477 . . . . 66.16 114.988 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -147.32 95.88 4.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 112.902 0.704 . . . . 65.57 112.902 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -55.48 131.55 46.87 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.374 1.383 . . . . 63.54 114.144 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.35 -42.29 1.97 Allowed Glycine 0 C--O 1.223 -0.56 0 N-CA-C 110.702 -0.959 . . . . 44.49 110.702 -172.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.89 173.64 6.14 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 122.467 1.127 . . . . 36.79 113.333 175.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -126.96 175.03 8.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 114.439 -1.255 . . . . 40.63 109.258 172.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -141.77 138.58 32.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.287 -0.87 . . . . 23.86 110.257 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' A' ' 56' ' ' ILE . 12.5 mt -97.85 135.84 39.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 106.554 -1.647 . . . . 18.69 106.554 172.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.7 m -124.27 124.71 43.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 105.762 -1.94 . . . . 18.35 105.762 175.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 123.64 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 123.925 0.765 . . . . 18.54 110.753 -165.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -82.6 132.27 35.19 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.727 -0.471 . . . . 44.21 109.727 174.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . 0.527 HH21 HG21 ' A' ' 52' ' ' THR . 6.1 ttp180 -157.72 129.12 6.75 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.792 -0.818 . . . . 57.45 108.792 -177.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 50.62 35.89 12.65 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.103 1.149 . . . . 74.51 114.103 -176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.36 90.06 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 116.346 1.298 . . . . 51.4 116.346 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.0 169.09 17.33 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 117.893 0.846 . . . . 50.04 109.457 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.17 128.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 O-C-N 123.838 0.711 . . . . 31.52 112.026 -174.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . 0.527 HG21 HH21 ' A' ' 47' ' ' ARG . 1.1 p -106.47 145.85 31.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.381 -0.6 . . . . 33.72 109.381 169.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HIS . . . . . 0.586 ' NE2' HG22 ' D' ' -1' ' ' VAL . 20.0 m-70 -115.56 139.18 50.32 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.657 -0.702 . . . . 31.93 109.262 -179.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 HD21 ' D' ' 4' ' ' LEU . 36.8 mm -127.45 123.27 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 124.114 0.966 . . . . 31.91 109.671 -174.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 203' ' ' HOH . 0.5 OUTLIER -69.44 135.46 50.25 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.528 0.566 . . . . 63.12 112.528 178.219 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' A' ' 43' ' ' LEU . 76.4 mt -114.02 117.75 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 123.09 0.556 . . . . 23.6 109.581 173.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.19 126.56 30.98 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 110.439 -0.208 . . . . 37.02 110.439 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -114.91 103.8 11.29 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.944 -1.502 . . . . 47.36 106.944 164.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.8 p -78.34 -19.41 53.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.832 -1.076 . . . . 136.32 111.693 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.57 -39.89 2.74 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 109.724 -1.35 . . . . 78.67 109.724 -168.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -79.77 -59.29 2.79 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.703 0.801 . . . . 123.14 110.451 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -139.99 172.57 12.58 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.703 0.801 . . . . 50.23 111.031 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -113.87 142.5 46.03 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.334 1.053 . . . . 49.12 111.535 173.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -156.8 -170.45 3.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.162 -0.472 . . . . 27.89 110.634 169.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.46 43.12 1.56 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 120.849 0.356 . . . . 19.92 110.712 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 52.92 56.03 8.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.212 -1.033 . . . . 32.36 108.212 -172.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.75 177.65 14.98 Favored Glycine 0 C--O 1.249 1.062 0 N-CA-C 108.118 -1.993 . . . . 24.8 108.118 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.03 -172.18 54.32 Favored Glycine 0 C--O 1.227 -0.295 0 N-CA-C 109.87 -1.292 . . . . 25.9 109.87 -176.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -72.66 151.1 42.44 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 121.078 0.466 . . . . 73.26 111.232 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -104.54 147.52 27.51 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.226 1.01 . . . . 44.71 110.319 -175.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -136.54 151.86 49.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.964 0.411 . . . . 40.37 110.682 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.17 93.86 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.662 -0.699 . . . . 56.26 111.802 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -130.56 163.18 27.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.706 1.002 . . . . 47.07 113.706 -173.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.89 -41.24 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.747 -1.115 . . . . 35.43 111.799 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.94 -35.01 79.27 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.117 0.784 . . . . 30.47 113.117 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.63 -40.71 92.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.477 -0.329 . . . . 57.43 111.411 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.176 -0.465 . . . . 21.36 110.557 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -48.56 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 O-C-N 123.474 0.484 . . . . 16.5 111.793 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -60.35 -40.95 92.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.562 0.539 . . . . 51.94 110.835 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.99 -44.45 94.52 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 120.947 -0.301 . . . . 24.15 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -77.45 -22.87 50.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.48 0.918 . . . . 16.29 113.48 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 91.6 mtp -65.87 -34.76 78.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.416 0.286 . . . . 19.25 110.556 169.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -101.43 -0.81 34.63 Favored 'General case' 0 C--O 1.248 1.015 0 N-CA-C 115.78 1.77 . . . . 28.59 115.78 -172.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -138.78 72.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.286 -1.005 . . . . 27.69 108.286 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -62.95 -31.97 73.18 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.489 0.922 . . . . 58.14 113.489 -166.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.43 -17.22 72.32 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 114.853 0.701 . . . . 28.33 114.853 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -77.8 -17.89 56.96 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 115.321 1.6 . . . . 39.91 115.321 -175.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 tp -111.77 103.5 11.77 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.016 -0.735 . . . . 26.01 109.016 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 146.46 39.48 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 120.623 0.249 . . . . 62.84 110.429 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -78.53 179.21 7.21 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.758 -0.777 . . . . 53.76 110.16 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -59.01 -39.07 80.73 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.819 0.674 . . . . 59.74 112.819 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -69.65 -5.39 24.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.759 1.763 . . . . 71.69 115.759 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.54 -11.63 58.07 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 114.616 0.606 . . . . 32.91 114.616 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -72.94 129.25 37.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 117.452 0.626 . . . . 34.8 111.32 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.96 152.68 9.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 O-C-N 124.109 0.881 . . . . 22.83 109.929 170.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.1 mt -113.92 103.62 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 102.707 -3.071 . . . . 16.97 102.707 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.38 120.69 37.15 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.106 -0.474 . . . . 23.06 111.824 -166.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 mt -92.98 87.79 5.9 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 124.42 1.075 . . . . 14.26 109.206 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -95.7 -51.45 4.51 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.18 0.807 . . . . 26.07 113.18 -173.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 28' ' ' SER . 20.6 m-85 -124.4 102.99 32.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.289 -0.869 . . . . 27.81 109.696 -164.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.91 122.34 9.24 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 N-CA-C 107.813 -1.649 . . . . 20.53 107.813 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tt -83.45 115.27 21.98 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.898 -1.519 . . . . 24.6 106.898 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -72.29 151.29 42.89 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.942 0.497 . . . . 45.3 111.298 -178.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 123.463 1.601 . . . . 48.06 106.778 173.149 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' -1' ' ' VAL . . . . . 0.586 HG22 ' NE2' ' A' ' 53' ' ' HIS . 51.9 t . . . . . 0 N--CA 1.503 2.205 0 CA-C-O 118.18 -0.914 . . . . 65.04 108.94 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 0' ' ' ASP . . . . . 0.434 ' HB3' ' CA ' ' D' ' -1' ' ' VAL 0.324 2.3 t70 78.87 94.02 0.06 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 129.806 3.242 . . . . 155.6 112.998 7.887 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 1' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.68 150.72 50.93 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 116.596 -0.274 . . . . 48.4 113.437 -173.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.76 135.69 39.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.383 -0.969 . . . . 53.0 108.383 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 54' ' ' ILE . 60.4 mt -104.78 141.01 37.25 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.205 1.557 . . . . 33.07 115.205 -172.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -100.21 115.56 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.779 -1.563 . . . . 42.68 106.779 169.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -93.06 154.15 18.27 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.601 0.222 . . . . 43.91 111.601 170.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 116.366 1.988 . . . . 63.3 116.366 -169.427 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 119.575 -0.25 . . . . 97.78 110.863 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 47.74 60.75 3.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.328 1.051 . . . . 76.65 112.878 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -58.68 -33.35 70.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.48 1.289 . . . . 113.59 114.48 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -65.03 -14.42 60.38 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 116.43 2.011 . . . . 29.69 116.43 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -83.23 123.66 29.8 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.412 0.893 . . . . 50.96 113.412 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -111.03 99.11 41.7 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.665 -1.235 . . . . 28.67 107.665 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.16 -19.22 29.91 Favored 'Trans proline' 0 C--N 1.352 0.728 0 N-CA-C 115.854 1.444 . . . . 39.85 115.854 -171.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -122.53 29.22 7.0 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.347 0.869 . . . . 80.27 113.347 -167.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' B' ' 15' ' ' GLU . 1.1 tp -120.64 143.15 33.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 110.093 -0.336 . . . . 53.3 110.093 -172.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.67 174.48 7.17 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.819 -0.438 . . . . 75.27 109.819 172.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.15 93.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 115.156 0.822 . . . . 39.95 115.156 -178.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -71.16 -39.66 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 109.214 -0.661 . . . . 56.21 109.214 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . 0.459 ' HB3' HD11 ' B' ' 11' ' ' ILE . 94.2 mt-10 -66.57 -44.54 81.98 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.53 -0.305 . . . . 57.31 111.18 174.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.57 -45.28 66.36 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.931 0.396 . . . . 32.96 111.034 173.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -59.54 -55.96 28.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.769 -0.65 . . . . 52.87 110.528 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.17 -46.22 75.75 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 61.21 111.844 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.83 -50.86 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.724 -0.671 . . . . 39.58 111.401 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.12 -36.65 77.95 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.489 0.552 . . . . 30.87 112.489 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.4 mt -73.23 -36.33 66.42 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.546 0.943 . . . . 58.32 113.546 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.1 p -81.31 -55.79 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.404 -0.362 . . . . 52.39 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -90.46 -25.28 20.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 116.117 1.895 . . . . 92.82 116.117 -170.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 177.34 35.46 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 115.829 1.092 . . . . 43.08 115.829 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.11 166.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.286 -1.375 . . . . 38.37 107.286 167.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -56.13 131.49 47.79 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.675 -0.861 . . . . 44.57 108.675 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.78 62.05 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 114.045 0.378 . . . . 21.24 114.045 -166.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' B' ' 100' ' ' TYR . 63.1 m -74.11 144.63 44.85 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.852 -1.166 . . . . 22.31 107.852 177.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.65 164.47 36.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.882 -0.599 . . . . 15.27 109.948 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.7 162.33 41.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.793 -1.094 . . . . 20.39 108.838 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.76 149.12 33.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.034 -0.985 . . . . 19.63 108.71 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -146.92 166.65 15.71 Favored Pre-proline 0 C--O 1.251 1.169 0 CA-C-N 114.91 -1.041 . . . . 30.93 109.731 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.93 144.36 70.09 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 123.358 1.188 . . . . 33.37 110.154 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -71.05 137.62 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.486 -0.561 . . . . 38.63 109.486 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -85.62 -46.96 10.28 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.744 -0.836 . . . . 65.79 108.744 168.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -60.09 -27.44 67.01 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.883 1.438 . . . . 70.02 114.883 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -147.49 95.91 4.24 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 113.067 0.766 . . . . 66.35 113.067 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -54.77 131.62 47.04 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.537 1.491 . . . . 73.58 114.125 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.83 -43.61 1.66 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.282 -1.127 . . . . 49.78 110.282 -172.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -70.03 173.5 6.44 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 122.432 1.111 . . . . 38.12 113.386 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -126.9 174.93 8.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.377 -1.283 . . . . 42.53 109.305 172.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -141.48 138.5 32.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.143 -0.935 . . . . 23.74 110.342 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' B' ' 56' ' ' ILE . 12.4 mt -97.63 135.68 39.09 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 106.606 -1.627 . . . . 25.44 106.606 172.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -123.93 124.74 43.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.809 -1.923 . . . . 18.7 105.809 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 t -130.72 123.54 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.898 0.749 . . . . 18.64 110.726 -165.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -82.7 132.25 35.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.666 -0.494 . . . . 48.83 109.666 174.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' B' ' 90' ' ' GLU . 5.5 ttp180 -157.39 129.21 7.04 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.808 -0.812 . . . . 53.91 108.808 -177.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m120 50.77 35.72 12.72 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.964 1.098 . . . . 64.33 113.964 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.17 90.22 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 116.265 1.266 . . . . 52.72 116.265 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.92 169.07 17.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 118.032 0.916 . . . . 44.06 109.579 174.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.05 128.45 72.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 123.796 0.685 . . . . 31.45 111.927 -174.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' THR . . . . . 0.493 HG21 HH21 ' B' ' 47' ' ' ARG . 1.2 p -106.08 145.97 30.76 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 123.583 0.552 . . . . 33.0 109.629 168.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -115.35 139.21 50.19 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.67 -0.695 . . . . 29.23 109.253 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 36.7 mm -127.23 123.23 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.092 0.957 . . . . 27.46 109.602 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -69.44 135.55 50.38 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.795 0.665 . . . . 42.88 112.795 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . 0.516 HD11 ' HG ' ' B' ' 43' ' ' LEU . 76.5 mt -113.97 117.58 55.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 123.212 0.605 . . . . 23.9 109.46 173.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -78.11 126.51 30.92 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.739 -0.21 . . . . 38.09 110.565 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -114.89 103.87 11.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 106.95 -1.5 . . . . 48.13 106.95 164.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.4 p -78.32 -19.49 53.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 123.98 111.695 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.58 -39.92 2.73 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.706 -1.358 . . . . 75.26 109.706 -168.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.72 -59.23 2.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.801 0.84 . . . . 125.83 110.347 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -139.9 172.54 12.62 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.65 0.78 . . . . 50.52 111.027 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -113.84 142.56 45.94 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 124.456 1.102 . . . . 49.68 111.607 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -156.81 -170.65 3.38 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 116.166 -0.47 . . . . 28.26 110.612 169.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 mt -111.57 43.42 1.52 Allowed 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 120.851 0.358 . . . . 19.87 110.65 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 52.9 56.0 8.18 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.054 -1.091 . . . . 33.02 108.054 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 177.44 14.87 Favored Glycine 0 C--O 1.252 1.28 0 N-CA-C 108.179 -1.968 . . . . 24.96 108.179 -174.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.78 -172.12 54.14 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 109.983 -1.247 . . . . 26.31 109.983 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.0 151.08 43.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 64.51 111.945 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -104.86 147.29 27.9 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.201 1.001 . . . . 50.14 110.237 -174.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -136.38 151.76 49.9 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.875 0.369 . . . . 39.58 110.725 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.04 93.41 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.736 -0.666 . . . . 52.23 111.599 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -130.55 163.37 27.22 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 113.805 1.039 . . . . 48.6 113.805 -173.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 34.22 111.766 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.39 80.27 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.358 0.873 . . . . 30.71 113.358 179.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.79 -40.56 92.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.411 -0.359 . . . . 52.4 111.293 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.24 -49.76 68.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.33 -0.395 . . . . 21.54 110.491 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.13 -48.58 88.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 123.594 0.559 . . . . 16.48 111.716 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -60.3 -41.06 92.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.422 0.451 . . . . 55.04 110.748 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.13 -44.33 95.01 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 120.824 -0.35 . . . . 24.87 111.166 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -77.55 -22.68 50.65 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.547 0.943 . . . . 16.29 113.547 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 92.4 mtp -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.558 0.343 . . . . 18.33 110.612 169.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -101.33 -0.78 34.97 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.762 1.764 . . . . 29.68 115.762 -172.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -138.84 71.33 1.38 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.153 -1.054 . . . . 28.84 108.153 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -63.07 -31.51 72.66 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.345 0.869 . . . . 106.44 113.345 -166.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.77 -18.2 70.07 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 115.364 0.905 . . . . 29.35 115.364 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.72 -17.89 57.14 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.504 1.668 . . . . 38.89 115.504 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 tp -112.34 103.85 11.99 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.659 -0.867 . . . . 27.57 108.659 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 149.01 42.73 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.389 -0.369 . . . . 63.72 110.631 -179.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' B' ' 47' ' ' ARG . 17.4 mt-10 -73.83 176.07 6.69 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.674 -0.491 . . . . 42.54 109.674 170.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -57.38 -39.21 75.57 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.689 0.626 . . . . 66.19 112.689 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' B' ' 90' ' ' GLU . 27.7 p30 -69.08 -5.47 22.28 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.042 1.868 . . . . 66.79 116.042 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.58 58.5 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.983 0.753 . . . . 33.56 114.983 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -74.05 129.46 37.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 117.32 0.56 . . . . 35.91 110.461 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.21 152.99 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.896 0.747 . . . . 23.31 109.735 171.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.6 103.64 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 102.284 -3.228 . . . . 16.57 102.284 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -96.26 121.03 37.6 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 119.201 -0.428 . . . . 26.29 111.876 -166.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 37.9 mt -93.05 88.15 6.0 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 124.446 1.092 . . . . 14.43 109.166 175.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -95.77 -51.72 4.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.769 0.655 . . . . 27.39 112.769 -173.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' B' ' 28' ' ' SER . 20.5 m-85 -124.19 102.87 33.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 29.0 109.875 -164.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.86 122.34 9.25 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 N-CA-C 107.839 -1.639 . . . . 21.04 107.839 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 36.3 tp -83.13 115.01 21.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.167 -1.42 . . . . 25.65 107.167 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -72.13 151.59 42.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.212 0.53 . . . . 44.57 111.494 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.512 -0.5 0 N-CA-C 105.674 -1.973 . . . . 47.75 105.674 173.856 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' -1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.738 0.304 . . . . 75.03 110.526 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.5 140.24 42.68 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.181 1.178 . . . . 67.71 114.181 -173.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.82 149.68 51.61 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 114.0 0.36 . . . . 50.68 114.0 -172.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.96 39.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.59 -1.263 . . . . 73.21 107.59 -179.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.78 147.41 27.32 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 116.127 1.899 . . . . 34.13 116.127 -175.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.62 113.98 27.8 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.38 -1.341 . . . . 50.87 107.38 170.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -92.93 151.47 19.92 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 120.713 0.292 . . . . 53.95 111.241 170.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 112.04 0.385 . . . . 84.77 112.04 -177.445 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.435 ' O ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 119.685 -0.197 . . . . 103.99 110.864 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 47.51 60.71 3.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.39 1.076 . . . . 84.45 112.887 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -58.52 -33.26 69.66 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.406 1.261 . . . . 97.36 114.406 -170.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -65.05 -14.62 60.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.463 2.023 . . . . 27.02 116.463 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -83.04 123.74 29.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.538 0.94 . . . . 53.9 113.538 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.42 ' HE1' ' O ' ' A' ' 102' ' ' LEU . 24.8 m80 -110.93 99.91 44.45 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 107.532 -1.284 . . . . 27.66 107.532 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.14 -19.36 29.82 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 115.983 1.493 . . . . 40.54 115.983 -171.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -122.38 28.55 7.37 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.373 0.879 . . . . 88.73 113.373 -167.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tt -119.91 143.11 32.54 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-O 120.716 0.293 . . . . 79.49 110.416 -172.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -93.32 174.32 7.27 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.832 -0.433 . . . . 77.78 109.832 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.49 94.0 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 115.098 0.799 . . . . 36.3 115.098 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.9 t -71.01 -39.76 75.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.244 -0.65 . . . . 52.0 109.244 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.22 -44.87 82.59 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.646 -0.252 . . . . 63.98 111.284 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.54 66.16 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 120.988 0.423 . . . . 32.25 111.127 173.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.24 -55.91 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 49.53 110.779 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -55.59 -45.91 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 87.96 112.022 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.79 -51.13 70.86 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.703 -0.68 . . . . 39.9 111.085 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.98 -36.72 77.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.467 0.544 . . . . 28.86 112.467 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.26 -36.29 66.35 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.568 0.951 . . . . 48.31 113.568 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.6 p -81.27 -55.89 4.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.354 -0.385 . . . . 48.56 110.047 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -90.6 -25.12 20.33 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 116.021 1.86 . . . . 72.49 116.021 -169.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.04 177.19 35.12 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 115.574 0.99 . . . . 43.1 115.574 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.83 166.41 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 107.46 -1.311 . . . . 38.55 107.46 167.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -56.18 131.39 47.66 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.689 -0.856 . . . . 51.75 108.689 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.33 -13.86 61.3 Favored Glycine 0 N--CA 1.469 0.859 0 CA-C-N 116.404 -0.362 . . . . 20.66 113.724 -167.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 100' ' ' TYR . 64.0 m -74.13 144.38 44.92 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.001 -1.111 . . . . 21.62 108.001 177.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -151.44 164.19 37.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.973 -0.558 . . . . 15.08 109.871 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.38 162.44 41.17 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.949 -1.023 . . . . 19.86 108.918 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.98 148.97 33.95 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.087 -0.961 . . . . 19.24 108.709 170.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -146.67 166.56 16.18 Favored Pre-proline 0 C--O 1.253 1.244 0 CA-C-N 114.836 -1.074 . . . . 31.27 109.987 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -67.17 144.57 69.52 Favored 'Trans proline' 0 C--N 1.357 1.025 0 O-C-N 123.386 1.203 . . . . 32.13 110.118 172.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.8 t -71.91 137.16 47.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.952 -0.759 . . . . 38.18 108.952 174.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -87.21 -44.66 11.3 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.217 -0.66 . . . . 76.68 109.217 167.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -59.07 -27.64 65.71 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.988 1.477 . . . . 66.16 114.988 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -147.32 95.88 4.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 112.902 0.704 . . . . 65.57 112.902 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -55.48 131.55 46.87 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.374 1.383 . . . . 63.54 114.144 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.35 -42.29 1.97 Allowed Glycine 0 C--O 1.223 -0.56 0 N-CA-C 110.702 -0.959 . . . . 44.49 110.702 -172.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.89 173.64 6.14 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-O 122.467 1.127 . . . . 36.79 113.333 175.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -126.96 175.03 8.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 114.439 -1.255 . . . . 40.63 109.258 172.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -141.77 138.58 32.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.287 -0.87 . . . . 23.86 110.257 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' A' ' 56' ' ' ILE . 12.5 mt -97.85 135.84 39.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 106.554 -1.647 . . . . 18.69 106.554 172.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.7 m -124.27 124.71 43.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 105.762 -1.94 . . . . 18.35 105.762 175.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.5 t -130.97 123.64 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 123.925 0.765 . . . . 18.54 110.753 -165.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -82.6 132.27 35.19 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.727 -0.471 . . . . 44.21 109.727 174.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.527 HH21 HG21 ' A' ' 52' ' ' THR . 6.1 ttp180 -157.72 129.12 6.75 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.792 -0.818 . . . . 57.45 108.792 -177.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 50.62 35.89 12.65 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.103 1.149 . . . . 74.51 114.103 -176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.36 90.06 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 116.346 1.298 . . . . 51.4 116.346 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.0 169.09 17.33 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 117.893 0.846 . . . . 50.04 109.457 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.17 128.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 O-C-N 123.838 0.711 . . . . 31.52 112.026 -174.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . 0.527 HG21 HH21 ' A' ' 47' ' ' ARG . 1.1 p -106.47 145.85 31.28 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.381 -0.6 . . . . 33.72 109.381 169.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.586 ' NE2' HG22 ' D' ' -1' ' ' VAL . 20.0 m-70 -115.56 139.18 50.32 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.657 -0.702 . . . . 31.93 109.262 -179.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 HD21 ' D' ' 4' ' ' LEU . 36.8 mm -127.45 123.27 61.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 124.114 0.966 . . . . 31.91 109.671 -174.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 203' ' ' HOH . 0.5 OUTLIER -69.44 135.46 50.25 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.528 0.566 . . . . 63.12 112.528 178.219 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' A' ' 43' ' ' LEU . 76.4 mt -114.02 117.75 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 123.09 0.556 . . . . 23.6 109.581 173.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.19 126.56 30.98 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 110.439 -0.208 . . . . 37.02 110.439 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -114.91 103.8 11.29 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.944 -1.502 . . . . 47.36 106.944 164.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.8 p -78.34 -19.41 53.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.832 -1.076 . . . . 136.32 111.693 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.57 -39.89 2.74 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 109.724 -1.35 . . . . 78.67 109.724 -168.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -79.77 -59.29 2.79 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.703 0.801 . . . . 123.14 110.451 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -139.99 172.57 12.58 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.703 0.801 . . . . 50.23 111.031 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -113.87 142.5 46.03 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.334 1.053 . . . . 49.12 111.535 173.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -156.8 -170.45 3.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.162 -0.472 . . . . 27.89 110.634 169.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.46 43.12 1.56 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 120.849 0.356 . . . . 19.92 110.712 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 52.92 56.03 8.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.212 -1.033 . . . . 32.36 108.212 -172.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.75 177.65 14.98 Favored Glycine 0 C--O 1.249 1.062 0 N-CA-C 108.118 -1.993 . . . . 24.8 108.118 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.03 -172.18 54.32 Favored Glycine 0 C--O 1.227 -0.295 0 N-CA-C 109.87 -1.292 . . . . 25.9 109.87 -176.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -72.66 151.1 42.44 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 121.078 0.466 . . . . 73.26 111.232 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -104.54 147.52 27.51 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.226 1.01 . . . . 44.71 110.319 -175.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -136.54 151.86 49.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.964 0.411 . . . . 40.37 110.682 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.17 93.86 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.662 -0.699 . . . . 56.26 111.802 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -130.56 163.18 27.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.706 1.002 . . . . 47.07 113.706 -173.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.89 -41.24 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.747 -1.115 . . . . 35.43 111.799 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.94 -35.01 79.27 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.117 0.784 . . . . 30.47 113.117 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.63 -40.71 92.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.477 -0.329 . . . . 57.43 111.411 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.02 -49.85 68.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.176 -0.465 . . . . 21.36 110.557 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -48.56 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 O-C-N 123.474 0.484 . . . . 16.5 111.793 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -60.35 -40.95 92.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.562 0.539 . . . . 51.94 110.835 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.99 -44.45 94.52 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 120.947 -0.301 . . . . 24.15 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -77.45 -22.87 50.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.48 0.918 . . . . 16.29 113.48 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 91.6 mtp -65.87 -34.76 78.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.416 0.286 . . . . 19.25 110.556 169.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -101.43 -0.81 34.63 Favored 'General case' 0 C--O 1.248 1.015 0 N-CA-C 115.78 1.77 . . . . 28.59 115.78 -172.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -138.78 72.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.286 -1.005 . . . . 27.69 108.286 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -62.95 -31.97 73.18 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 113.489 0.922 . . . . 58.14 113.489 -166.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.43 -17.22 72.32 Favored Glycine 0 C--O 1.222 -0.594 0 N-CA-C 114.853 0.701 . . . . 28.33 114.853 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -77.8 -17.89 56.96 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 115.321 1.6 . . . . 39.91 115.321 -175.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 tp -111.77 103.5 11.77 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.016 -0.735 . . . . 26.01 109.016 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.79 146.46 39.48 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 120.623 0.249 . . . . 62.84 110.429 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -78.53 179.21 7.21 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.758 -0.777 . . . . 53.76 110.16 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -59.01 -39.07 80.73 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.819 0.674 . . . . 59.74 112.819 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -69.65 -5.39 24.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.759 1.763 . . . . 71.69 115.759 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.54 -11.63 58.07 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 114.616 0.606 . . . . 32.91 114.616 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -72.94 129.25 37.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 117.452 0.626 . . . . 34.8 111.32 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.96 152.68 9.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 O-C-N 124.109 0.881 . . . . 22.83 109.929 170.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.1 mt -113.92 103.62 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 N-CA-C 102.707 -3.071 . . . . 16.97 102.707 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -96.38 120.69 37.15 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.106 -0.474 . . . . 23.06 111.824 -166.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 mt -92.98 87.79 5.9 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 124.42 1.075 . . . . 14.26 109.206 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -95.7 -51.45 4.51 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.18 0.807 . . . . 26.07 113.18 -173.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 28' ' ' SER . 20.6 m-85 -124.4 102.99 32.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.289 -0.869 . . . . 27.81 109.696 -164.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.91 122.34 9.24 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 N-CA-C 107.813 -1.649 . . . . 20.53 107.813 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.42 ' O ' ' HE1' ' A' ' 8' ' ' HIS . 9.5 tt -83.45 115.27 21.98 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.898 -1.519 . . . . 24.6 106.898 176.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -72.29 151.29 42.89 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.942 0.497 . . . . 45.3 111.298 -178.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 123.463 1.601 . . . . 48.06 106.778 173.149 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' -1' ' ' VAL . . . . . 0.586 HG22 ' NE2' ' A' ' 53' ' ' HIS . 51.9 t . . . . . 0 N--CA 1.503 2.205 0 CA-C-O 118.18 -0.914 . . . . 65.04 108.94 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 0' ' ' ASP . . . . . 0.434 ' HB3' ' CA ' ' D' ' -1' ' ' VAL 0.324 2.3 t70 78.87 94.02 0.06 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 129.806 3.242 . . . . 155.6 112.998 7.887 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.68 150.72 50.93 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 116.596 -0.274 . . . . 48.4 113.437 -173.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.76 135.69 39.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.383 -0.969 . . . . 53.0 108.383 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 54' ' ' ILE . 60.4 mt -104.78 141.01 37.25 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.205 1.557 . . . . 33.07 115.205 -172.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -100.21 115.56 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.779 -1.563 . . . . 42.68 106.779 169.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -93.06 154.15 18.27 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.601 0.222 . . . . 43.91 111.601 170.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 116.366 1.988 . . . . 63.3 116.366 -169.427 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 119.575 -0.25 . . . . 97.78 110.863 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 47.74 60.75 3.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.328 1.051 . . . . 76.65 112.878 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -58.68 -33.35 70.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.48 1.289 . . . . 113.59 114.48 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -65.03 -14.42 60.38 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 116.43 2.011 . . . . 29.69 116.43 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -83.23 123.66 29.8 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.412 0.893 . . . . 50.96 113.412 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -111.03 99.11 41.7 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 107.665 -1.235 . . . . 28.67 107.665 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.16 -19.22 29.91 Favored 'Trans proline' 0 C--N 1.352 0.728 0 N-CA-C 115.854 1.444 . . . . 39.85 115.854 -171.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -122.53 29.22 7.0 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.347 0.869 . . . . 80.27 113.347 -167.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' B' ' 15' ' ' GLU . 1.1 tp -120.64 143.15 33.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 110.093 -0.336 . . . . 53.3 110.093 -172.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.67 174.48 7.17 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.819 -0.438 . . . . 75.27 109.819 172.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.15 93.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 115.156 0.822 . . . . 39.95 115.156 -178.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -71.16 -39.66 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 109.214 -0.661 . . . . 56.21 109.214 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.459 ' HB3' HD11 ' B' ' 11' ' ' ILE . 94.2 mt-10 -66.57 -44.54 81.98 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.53 -0.305 . . . . 57.31 111.18 174.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.57 -45.28 66.36 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.931 0.396 . . . . 32.96 111.034 173.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -59.54 -55.96 28.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.769 -0.65 . . . . 52.87 110.528 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -55.17 -46.22 75.75 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 61.21 111.844 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.83 -50.86 71.85 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.724 -0.671 . . . . 39.58 111.401 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.12 -36.65 77.95 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.489 0.552 . . . . 30.87 112.489 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 98.4 mt -73.23 -36.33 66.42 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.546 0.943 . . . . 58.32 113.546 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.1 p -81.31 -55.79 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.404 -0.362 . . . . 52.39 110.124 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -90.46 -25.28 20.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 116.117 1.895 . . . . 92.82 116.117 -170.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 177.34 35.46 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 115.829 1.092 . . . . 43.08 115.829 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.11 166.52 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 107.286 -1.375 . . . . 38.37 107.286 167.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -56.13 131.49 47.79 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.675 -0.861 . . . . 44.57 108.675 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.78 62.05 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 114.045 0.378 . . . . 21.24 114.045 -166.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' B' ' 100' ' ' TYR . 63.1 m -74.11 144.63 44.85 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.852 -1.166 . . . . 22.31 107.852 177.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.65 164.47 36.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.882 -0.599 . . . . 15.27 109.948 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -152.7 162.33 41.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.793 -1.094 . . . . 20.39 108.838 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.76 149.12 33.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.034 -0.985 . . . . 19.63 108.71 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -146.92 166.65 15.71 Favored Pre-proline 0 C--O 1.251 1.169 0 CA-C-N 114.91 -1.041 . . . . 30.93 109.731 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.93 144.36 70.09 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 123.358 1.188 . . . . 33.37 110.154 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.7 t -71.05 137.62 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.486 -0.561 . . . . 38.63 109.486 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -85.62 -46.96 10.28 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.744 -0.836 . . . . 65.79 108.744 168.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -60.09 -27.44 67.01 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.883 1.438 . . . . 70.02 114.883 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -147.49 95.91 4.24 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 113.067 0.766 . . . . 66.35 113.067 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -54.77 131.62 47.04 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.537 1.491 . . . . 73.58 114.125 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.83 -43.61 1.66 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.282 -1.127 . . . . 49.78 110.282 -172.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -70.03 173.5 6.44 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 122.432 1.111 . . . . 38.12 113.386 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -126.9 174.93 8.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.377 -1.283 . . . . 42.53 109.305 172.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.0 m -141.48 138.5 32.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.143 -0.935 . . . . 23.74 110.342 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' B' ' 56' ' ' ILE . 12.4 mt -97.63 135.68 39.09 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 106.606 -1.627 . . . . 25.44 106.606 172.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -123.93 124.74 43.28 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.809 -1.923 . . . . 18.7 105.809 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 t -130.72 123.54 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.898 0.749 . . . . 18.64 110.726 -165.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -82.7 132.25 35.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.666 -0.494 . . . . 48.83 109.666 174.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' B' ' 90' ' ' GLU . 5.5 ttp180 -157.39 129.21 7.04 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.808 -0.812 . . . . 53.91 108.808 -177.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m120 50.77 35.72 12.72 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.964 1.098 . . . . 64.33 113.964 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.17 90.22 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 116.265 1.266 . . . . 52.72 116.265 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.92 169.07 17.32 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 118.032 0.916 . . . . 44.06 109.579 174.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.05 128.45 72.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 123.796 0.685 . . . . 31.45 111.927 -174.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' THR . . . . . 0.493 HG21 HH21 ' B' ' 47' ' ' ARG . 1.2 p -106.08 145.97 30.76 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 123.583 0.552 . . . . 33.0 109.629 168.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -115.35 139.21 50.19 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.67 -0.695 . . . . 29.23 109.253 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 36.7 mm -127.23 123.23 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.092 0.957 . . . . 27.46 109.602 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -69.44 135.55 50.38 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.795 0.665 . . . . 42.88 112.795 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.516 HD11 ' HG ' ' B' ' 43' ' ' LEU . 76.5 mt -113.97 117.58 55.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 123.212 0.605 . . . . 23.9 109.46 173.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -78.11 126.51 30.92 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.739 -0.21 . . . . 38.09 110.565 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -114.89 103.87 11.37 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 106.95 -1.5 . . . . 48.13 106.95 164.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.4 p -78.32 -19.49 53.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 123.98 111.695 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.58 -39.92 2.73 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.706 -1.358 . . . . 75.26 109.706 -168.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.72 -59.23 2.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.801 0.84 . . . . 125.83 110.347 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -139.9 172.54 12.62 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.65 0.78 . . . . 50.52 111.027 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -113.84 142.56 45.94 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 124.456 1.102 . . . . 49.68 111.607 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -156.81 -170.65 3.38 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 116.166 -0.47 . . . . 28.26 110.612 169.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 mt -111.57 43.42 1.52 Allowed 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 120.851 0.358 . . . . 19.87 110.65 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 52.9 56.0 8.18 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.054 -1.091 . . . . 33.02 108.054 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 177.44 14.87 Favored Glycine 0 C--O 1.252 1.28 0 N-CA-C 108.179 -1.968 . . . . 24.96 108.179 -174.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.78 -172.12 54.14 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 109.983 -1.247 . . . . 26.31 109.983 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.0 151.08 43.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 64.51 111.945 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -104.86 147.29 27.9 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.201 1.001 . . . . 50.14 110.237 -174.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -136.38 151.76 49.9 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.875 0.369 . . . . 39.58 110.725 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.04 93.41 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.736 -0.666 . . . . 52.23 111.599 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -130.55 163.37 27.22 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 113.805 1.039 . . . . 48.6 113.805 -173.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.27 -41.03 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 34.22 111.766 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.39 80.27 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.358 0.873 . . . . 30.71 113.358 179.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.79 -40.56 92.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.411 -0.359 . . . . 52.4 111.293 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.24 -49.76 68.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.33 -0.395 . . . . 21.54 110.491 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.13 -48.58 88.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 123.594 0.559 . . . . 16.48 111.716 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -60.3 -41.06 92.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.422 0.451 . . . . 55.04 110.748 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.13 -44.33 95.01 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 120.824 -0.35 . . . . 24.87 111.166 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -77.55 -22.68 50.65 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.547 0.943 . . . . 16.29 113.547 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 92.4 mtp -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.558 0.343 . . . . 18.33 110.612 169.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -101.33 -0.78 34.97 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.762 1.764 . . . . 29.68 115.762 -172.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -138.84 71.33 1.38 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.153 -1.054 . . . . 28.84 108.153 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -63.07 -31.51 72.66 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.345 0.869 . . . . 106.44 113.345 -166.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.77 -18.2 70.07 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 115.364 0.905 . . . . 29.35 115.364 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.72 -17.89 57.14 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 115.504 1.668 . . . . 38.89 115.504 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 tp -112.34 103.85 11.99 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 108.659 -0.867 . . . . 27.57 108.659 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 149.01 42.73 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.389 -0.369 . . . . 63.72 110.631 -179.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' B' ' 47' ' ' ARG . 17.4 mt-10 -73.83 176.07 6.69 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.674 -0.491 . . . . 42.54 109.674 170.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -57.38 -39.21 75.57 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.689 0.626 . . . . 66.19 112.689 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.496 ' ND2' ' OE1' ' B' ' 90' ' ' GLU . 27.7 p30 -69.08 -5.47 22.28 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.042 1.868 . . . . 66.79 116.042 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.58 58.5 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.983 0.753 . . . . 33.56 114.983 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -74.05 129.46 37.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 117.32 0.56 . . . . 35.91 110.461 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.21 152.99 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.896 0.747 . . . . 23.31 109.735 171.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.6 103.64 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 102.284 -3.228 . . . . 16.57 102.284 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -96.26 121.03 37.6 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 119.201 -0.428 . . . . 26.29 111.876 -166.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 37.9 mt -93.05 88.15 6.0 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 124.446 1.092 . . . . 14.43 109.166 175.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -95.77 -51.72 4.38 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.769 0.655 . . . . 27.39 112.769 -173.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' B' ' 28' ' ' SER . 20.5 m-85 -124.19 102.87 33.43 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 29.0 109.875 -164.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.86 122.34 9.25 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 N-CA-C 107.839 -1.639 . . . . 21.04 107.839 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 36.3 tp -83.13 115.01 21.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.167 -1.42 . . . . 25.65 107.167 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -72.13 151.59 42.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.212 0.53 . . . . 44.57 111.494 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.512 -0.5 0 N-CA-C 105.674 -1.973 . . . . 47.75 105.674 173.856 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' -1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.738 0.304 . . . . 75.03 110.526 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.5 140.24 42.68 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.181 1.178 . . . . 67.71 114.181 -173.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.82 149.68 51.61 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 114.0 0.36 . . . . 50.68 114.0 -172.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.96 39.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.59 -1.263 . . . . 73.21 107.59 -179.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.78 147.41 27.32 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 116.127 1.899 . . . . 34.13 116.127 -175.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -106.62 113.98 27.8 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.38 -1.341 . . . . 50.87 107.38 170.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -92.93 151.47 19.92 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 120.713 0.292 . . . . 53.95 111.241 170.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 112.04 0.385 . . . . 84.77 112.04 -177.445 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.435 ' O ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_