data_1sld_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1sld _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.972 0 CA-C-O 115.304 -2.284 . . . . 43.78 112.232 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 35.96 -89.72 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 124.706 3.412 . . . . 45.02 118.634 -171.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -24.01 65.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 119.622 -1.924 . . . . 38.11 111.805 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.12 -24.82 76.32 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 119.234 -0.759 . . . . 32.03 113.635 169.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.79 -43.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 118.775 1.287 . . . . 29.23 108.368 -176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 20.5 m -48.79 130.99 18.27 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 113.697 0.999 . . . . 26.1 113.697 173.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.34 -156.42 21.82 Favored Glycine 0 C--N 1.352 1.418 0 O-C-N 124.606 1.191 . . . . 25.14 113.319 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 36.2 m -109.94 131.11 55.36 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 127.05 2.14 . . . . 22.42 110.041 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -126.7 148.06 49.89 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.266 1.426 . . . . 20.22 112.198 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.38 136.62 46.93 Favored 'General case' 0 CA--C 1.502 -0.882 0 O-C-N 118.79 -2.444 . . . . 20.38 107.568 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -93.44 178.98 5.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.915 -0.714 . . . . 27.45 110.639 172.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -67.17 -16.01 64.05 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.386 1.874 . . . . 58.45 112.201 -173.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.21 -8.92 28.79 Favored 'General case' 0 CA--C 1.492 -1.255 0 O-C-N 118.644 -2.535 . . . . 39.06 111.117 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.21 -5.19 57.45 Favored Glycine 0 CA--C 1.548 2.108 0 CA-C-O 116.1 -2.5 . . . . 36.15 115.187 -174.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 145.68 53.55 Favored 'General case' 0 C--O 1.246 0.917 1 CA-C-N 124.994 4.397 . . . . 28.03 112.435 172.968 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -118.7 129.71 55.43 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 124.314 2.007 . . . . 24.42 113.461 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . 0.284 4.8 t80 -118.9 122.85 43.25 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 112.61 -2.086 . . . . 32.99 106.087 -175.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.8 mt -117.86 117.5 55.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 119.387 -2.07 . . . . 30.33 110.301 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.28 143.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 119.847 -1.783 . . . . 26.47 114.742 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 52.1 m -107.5 122.94 47.66 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 105.485 -2.042 . . . . 24.48 105.485 165.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.22 123.88 35.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 105.032 -2.21 . . . . 22.86 105.032 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.47 163.5 35.59 Favored Glycine 0 CA--C 1.539 1.593 1 O-C-N 116.267 -4.021 . . . . 29.43 110.569 -177.619 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -35.91 70.8 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 113.987 1.106 . . . . 38.29 113.987 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -107.26 42.69 1.27 Allowed 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.748 2.499 . . . . 40.76 117.748 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.24 63.51 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-O 117.089 -1.951 . . . . 22.22 114.653 163.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.94 142.47 36.67 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-N 120.381 2.09 . . . . 19.02 116.366 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.97 125.2 52.21 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 119.904 -1.748 . . . . 20.74 108.107 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.0 p -134.01 148.42 51.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 124.892 3.496 . . . . 28.56 107.683 175.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.3 -159.21 32.32 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 122.539 2.427 . . . . 18.31 112.273 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -137.64 152.96 49.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.158 0.979 . . . . 17.72 111.142 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -113.23 131.74 55.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 105.39 -2.078 . . . . 33.46 105.39 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -125.27 130.41 51.98 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 123.774 2.988 . . . . 52.39 106.216 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.31 174.71 9.85 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 122.914 1.34 . . . . 45.58 111.646 -177.375 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.5 163.75 1.19 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.864 -1.062 . . . . 50.0 109.87 164.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t 72.52 -35.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.322 2.249 . . . . 50.0 109.014 -164.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.86 17.49 77.08 Favored Glycine 0 N--CA 1.465 0.584 0 CA-C-N 121.659 2.027 . . . . 42.59 114.635 163.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.33 151.16 42.9 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 126.985 3.278 . . . . 50.0 114.868 -177.375 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -7.01 0.51 Allowed 'General case' 0 N--CA 1.437 -1.122 1 CA-C-N 107.342 -4.481 . . . . 50.0 117.601 178.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -156.98 86.11 0.96 Allowed 'General case' 0 C--O 1.255 1.374 1 CA-C-O 130.907 5.146 . . . . 43.35 121.678 131.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.91 26.32 9.37 Favored 'General case' 0 N--CA 1.432 -1.369 1 CA-C-N 101.45 -7.159 . . . . 35.38 108.551 137.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -89.63 135.24 33.72 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 126.379 1.871 . . . . 45.77 111.132 170.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -139.26 142.46 37.78 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 104.855 -2.276 . . . . 22.21 104.855 -175.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -71.01 137.85 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.673 2.389 . . . . 21.5 113.543 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 pp -122.97 149.76 43.86 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 123.045 1.402 . . . . 21.89 111.048 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.9 t -140.34 143.21 35.65 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.986 -1.071 . . . . 19.47 109.02 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.06 12.98 Favored Glycine 0 C--N 1.341 0.824 0 O-C-N 120.921 -1.112 . . . . 20.22 113.362 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -145.55 149.25 34.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.154 0.981 . . . . 20.49 109.366 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -138.73 160.9 38.52 Favored 'General case' 0 CA--C 1.56 1.334 0 O-C-N 119.596 -1.94 . . . . 22.7 109.712 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -72.74 108.13 5.56 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.444 -2.035 . . . . 18.96 109.988 170.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -80.59 -7.94 59.43 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.644 2.09 . . . . 27.24 116.644 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.64 67.77 59.53 Favored Pre-proline 0 N--CA 1.48 1.033 0 O-C-N 118.804 -2.435 . . . . 25.67 111.426 169.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.36 167.27 27.39 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 C-N-CA 123.698 2.932 . . . . 33.03 112.406 -170.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.81 151.83 43.16 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 118.762 -1.175 . . . . 46.52 108.856 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 p -85.77 -20.79 28.72 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 119.083 2.994 . . . . 57.46 119.083 -176.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -59.96 -173.57 0.02 OUTLIER 'General case' 0 C--O 1.252 1.206 0 O-C-N 119.431 -2.043 . . . . 60.72 110.044 161.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.28 35.71 1.97 Allowed Glycine 0 CA--C 1.545 1.92 0 O-C-N 118.603 -2.561 . . . . 53.14 116.95 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -74.07 148.68 41.68 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 122.704 3.252 . . . . 36.85 106.432 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.55 168.61 51.02 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 120.112 1.324 . . . . 24.45 112.542 165.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.0 m -93.8 112.35 24.2 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 128.842 2.857 . . . . 18.87 110.585 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.18 136.44 44.75 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 120.25 -1.531 . . . . 21.96 110.459 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pp -151.35 167.75 26.95 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 115.488 -0.778 . . . . 18.72 111.463 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.86 162.03 34.77 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.22 1.867 . . . . 18.27 111.88 166.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -153.68 160.68 42.43 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.916 1.687 . . . . 14.74 108.867 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 29.0 m -120.85 137.3 54.63 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.604 2.762 . . . . 16.72 111.488 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.7 t -119.01 122.67 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 103.381 -2.822 . . . . 14.38 103.381 163.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.51 128.42 34.74 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 118.116 -2.865 . . . . 18.86 107.369 162.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -81.23 60.5 4.36 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-O 124.523 2.106 . . . . 23.47 113.942 -174.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -131.88 130.91 42.26 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.994 -1.457 . . . . 31.3 107.146 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 44.8 p30 -140.3 -156.6 0.69 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.391 -1.337 . . . . 25.24 107.391 168.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -81.13 -4.75 56.35 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 118.317 2.71 . . . . 53.57 118.317 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.59 -14.36 9.1 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-O 117.92 -1.038 . . . . 39.56 108.76 -171.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -164.99 139.16 4.97 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 122.444 2.384 . . . . 23.26 107.944 -162.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -131.34 110.83 11.35 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.507 1.146 . . . . 19.53 112.968 164.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.07 8.65 44.06 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 118.508 -0.758 . . . . 16.71 111.238 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 43.8 53.59 6.05 Favored 'General case' 0 C--O 1.251 1.153 0 C-N-CA 126.975 2.11 . . . . 22.25 115.797 173.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 23.8 p -157.81 165.05 36.3 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 111.012 -2.813 . . . . 16.19 114.471 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 139.59 25.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 117.781 -3.074 . . . . 18.27 108.238 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -112.69 137.14 51.42 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.297 -0.877 . . . . 17.48 110.996 173.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 73.6 p -107.64 130.84 54.87 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.995 1.718 . . . . 15.6 110.064 167.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -104.12 128.65 51.78 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 120.153 -1.592 . . . . 16.78 109.899 169.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.6 t -117.53 130.19 56.27 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 119.43 -2.044 . . . . 23.85 108.487 174.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 118.741 -2.475 . . . . 19.68 113.279 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -143.88 148.5 35.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.568 1.692 . . . . 20.3 115.568 174.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -90.4 129.89 36.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.534 -1.666 . . . . 27.96 109.195 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -120.12 113.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.491 1.516 . . . . 28.02 107.85 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.66 -178.09 49.35 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 124.659 2.255 . . . . 35.47 115.735 -174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.7 -148.6 18.02 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 109.73 -1.348 . . . . 33.64 109.73 169.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.01 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.869 1.063 . . . . 29.42 113.869 -172.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.3 89.28 2.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 126.413 3.006 . . . . 31.0 106.782 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.93 56.52 Favored 'General case' 0 C--O 1.243 0.753 1 CA-C-N 106.834 -4.712 . . . . 27.14 110.762 -179.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 164.9 32.4 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 117.797 -1.561 . . . . 34.14 114.191 167.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 78.7 mt -117.63 122.44 69.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 104.506 -2.405 . . . . 21.21 104.506 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -103.1 126.33 50.23 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.341 0.867 . . . . 28.03 113.341 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 69.6 p -131.3 150.57 52.09 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.514 1.672 . . . . 18.93 115.514 -173.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.25 147.93 31.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.315 -0.866 . . . . 22.14 109.952 156.353 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -129.22 152.93 48.27 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 118.766 -2.459 . . . . 14.92 110.661 -177.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 27.4 mt -123.61 124.76 43.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.025 -1.443 . . . . 16.4 107.544 171.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -107.22 109.52 21.34 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.838 1.255 . . . . 19.12 112.808 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -104.45 131.54 51.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 119.359 -2.088 . . . . 18.12 114.457 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 61.5 m -103.72 143.84 32.26 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 118.724 -2.485 . . . . 20.31 106.848 176.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.43 122.79 25.96 Favored Glycine 0 C--N 1.36 1.888 0 N-CA-C 110.372 -1.091 . . . . 20.06 110.372 173.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 62.0 p -129.8 168.86 15.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 123.404 3.602 . . . . 18.45 107.393 -174.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 67.8 p -74.99 162.82 28.24 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 117.998 -2.939 . . . . 33.09 108.938 164.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.5 -26.2 68.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.176 3.398 . . . . 36.97 120.176 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.96 95.19 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-N 114.843 -1.072 . . . . 43.34 111.86 168.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -91.61 5.69 48.67 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.085 -2.26 . . . . 45.93 113.88 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.1 -21.87 62.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.914 -1.517 . . . . 26.65 111.605 -173.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -61.36 -20.61 63.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 122.707 2.503 . . . . 37.06 117.476 172.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -109.43 20.91 17.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.666 -1.271 . . . . 25.46 108.994 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 77.4 p -76.57 -25.56 54.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 117.777 -3.077 . . . . 20.06 118.663 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 20.6 m -129.59 122.68 29.6 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 125.235 3.652 . . . . 18.78 109.764 -169.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.0 mt -97.94 151.12 20.61 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 126.195 2.184 . . . . 20.54 109.724 171.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.49 137.35 56.41 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 C-N-CA 124.109 0.964 . . . . 19.91 109.824 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.76 -162.19 11.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.021 -1.232 . . . . 14.31 110.021 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.88 157.96 43.79 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 117.461 -3.376 . . . . 30.5 109.706 -175.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.38 147.38 26.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 123.487 2.858 . . . . 34.64 110.157 -174.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 54.1 m -124.41 131.23 53.5 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 127.453 2.301 . . . . 25.3 106.859 174.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -111.65 136.74 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.222 1.409 . . . . 24.7 108.619 179.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 40.6 p -125.66 175.33 7.65 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 120.429 1.468 . . . . 21.08 110.659 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.17 -8.32 55.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.514 1.672 . . . . 30.26 115.514 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 CA--C 1.557 1.213 0 N-CA-C 101.725 -3.435 . . . . 48.72 101.725 -162.451 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 60.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.46 122.09 22.48 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 124.75 2.214 . . . . 55.67 111.933 . -179.689 -93.8 -142.815 95.253 2.048 111.701 -114.348 49.833 1 1 . 1 . 001 ecloud orig full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -78.26 148.51 74.49 Favored Pre-proline 0 CA--C 1.505 -0.785 0 CA-C-N 108.45 -3.977 . . . . 41.67 111.451 -164.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.5 -20.37 48.94 Favored 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 122.402 2.068 . . . . 22.3 116.837 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -63.61 -24.21 67.7 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.22 -2.175 . . . . 30.0 111.669 172.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -108.59 -45.06 3.93 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.854 -1.521 . . . . 46.21 110.181 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 7.6 p -142.61 111.44 6.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 118.801 -2.437 . . . . 54.18 111.05 -175.121 49.833 -114.348 -142.815 111.701 2.048 95.253 -93.8 -179.689 1 1 . 1 . 001 ecloud orig full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.437 -2.039 . . . . 49.74 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.972 0 CA-C-O 115.304 -2.284 . . . . 43.78 112.232 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 35.96 -89.72 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 124.706 3.412 . . . . 45.02 118.634 -171.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -24.01 65.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 119.622 -1.924 . . . . 38.11 111.805 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.12 -24.82 76.32 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 119.234 -0.759 . . . . 32.03 113.635 169.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.79 -43.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 118.775 1.287 . . . . 29.23 108.368 -176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 20.5 m -48.79 130.99 18.27 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 113.697 0.999 . . . . 26.1 113.697 173.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.34 -156.42 21.82 Favored Glycine 0 C--N 1.352 1.418 0 O-C-N 124.606 1.191 . . . . 25.14 113.319 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 36.2 m -109.94 131.11 55.36 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 127.05 2.14 . . . . 22.42 110.041 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -126.7 148.06 49.89 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.266 1.426 . . . . 20.22 112.198 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.38 136.62 46.93 Favored 'General case' 0 CA--C 1.502 -0.882 0 O-C-N 118.79 -2.444 . . . . 20.38 107.568 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -93.44 178.98 5.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.915 -0.714 . . . . 27.45 110.639 172.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -67.17 -16.01 64.05 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.386 1.874 . . . . 58.45 112.201 -173.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.21 -8.92 28.79 Favored 'General case' 0 CA--C 1.492 -1.255 0 O-C-N 118.644 -2.535 . . . . 39.06 111.117 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.21 -5.19 57.45 Favored Glycine 0 CA--C 1.548 2.108 0 CA-C-O 116.1 -2.5 . . . . 36.15 115.187 -174.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 145.68 53.55 Favored 'General case' 0 C--O 1.246 0.917 1 CA-C-N 124.994 4.397 . . . . 28.03 112.435 172.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -118.7 129.71 55.43 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 124.314 2.007 . . . . 24.42 113.461 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . 0.284 4.8 t80 -118.9 122.85 43.25 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 112.61 -2.086 . . . . 32.99 106.087 -175.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.8 mt -117.86 117.5 55.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 119.387 -2.07 . . . . 30.33 110.301 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.28 143.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 119.847 -1.783 . . . . 26.47 114.742 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 52.1 m -107.5 122.94 47.66 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 105.485 -2.042 . . . . 24.48 105.485 165.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.22 123.88 35.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 105.032 -2.21 . . . . 22.86 105.032 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.47 163.5 35.59 Favored Glycine 0 CA--C 1.539 1.593 1 O-C-N 116.267 -4.021 . . . . 29.43 110.569 -177.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -35.91 70.8 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 113.987 1.106 . . . . 38.29 113.987 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -107.26 42.69 1.27 Allowed 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.748 2.499 . . . . 40.76 117.748 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.24 63.51 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-O 117.089 -1.951 . . . . 22.22 114.653 163.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.94 142.47 36.67 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-N 120.381 2.09 . . . . 19.02 116.366 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.97 125.2 52.21 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 119.904 -1.748 . . . . 20.74 108.107 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.0 p -134.01 148.42 51.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 124.892 3.496 . . . . 28.56 107.683 175.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.3 -159.21 32.32 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 122.539 2.427 . . . . 18.31 112.273 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -137.64 152.96 49.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.158 0.979 . . . . 17.72 111.142 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -113.23 131.74 55.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 105.39 -2.078 . . . . 33.46 105.39 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -125.27 130.41 51.98 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 123.774 2.988 . . . . 52.39 106.216 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.31 174.71 9.85 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 122.914 1.34 . . . . 45.58 111.646 -177.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.5 163.75 1.19 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.864 -1.062 . . . . 43.15 109.87 164.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t 72.52 -35.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.322 2.249 . . . . 44.09 109.014 -164.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.86 17.49 77.08 Favored Glycine 0 N--CA 1.465 0.584 0 CA-C-N 121.659 2.027 . . . . 42.59 114.635 163.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.33 151.16 42.9 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 126.985 3.278 . . . . 41.93 114.868 -177.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -7.01 0.51 Allowed 'General case' 0 N--CA 1.437 -1.122 1 CA-C-N 107.342 -4.481 . . . . 41.85 117.601 178.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -156.98 86.11 0.96 Allowed 'General case' 0 C--O 1.255 1.374 1 CA-C-O 130.907 5.146 . . . . 43.35 121.678 131.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.91 26.32 9.37 Favored 'General case' 0 N--CA 1.432 -1.369 1 CA-C-N 101.45 -7.159 . . . . 35.38 108.551 137.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -89.63 135.24 33.72 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 126.379 1.871 . . . . 45.77 111.132 170.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -139.26 142.46 37.78 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 104.855 -2.276 . . . . 22.21 104.855 -175.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -71.01 137.85 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.673 2.389 . . . . 21.5 113.543 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 pp -122.97 149.76 43.86 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 123.045 1.402 . . . . 21.89 111.048 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.9 t -140.34 143.21 35.65 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.986 -1.071 . . . . 19.47 109.02 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.06 12.98 Favored Glycine 0 C--N 1.341 0.824 0 O-C-N 120.921 -1.112 . . . . 20.22 113.362 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -145.55 149.25 34.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.154 0.981 . . . . 20.49 109.366 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -138.73 160.9 38.52 Favored 'General case' 0 CA--C 1.56 1.334 0 O-C-N 119.596 -1.94 . . . . 22.7 109.712 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -72.74 108.13 5.56 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.444 -2.035 . . . . 18.96 109.988 170.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -80.59 -7.94 59.43 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.644 2.09 . . . . 27.24 116.644 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.64 67.77 59.53 Favored Pre-proline 0 N--CA 1.48 1.033 0 O-C-N 118.804 -2.435 . . . . 25.67 111.426 169.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.36 167.27 27.39 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 C-N-CA 123.698 2.932 . . . . 33.03 112.406 -170.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.81 151.83 43.16 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 118.762 -1.175 . . . . 46.52 108.856 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 p -85.77 -20.79 28.72 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 119.083 2.994 . . . . 57.46 119.083 -176.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -59.96 -173.57 0.02 OUTLIER 'General case' 0 C--O 1.252 1.206 0 O-C-N 119.431 -2.043 . . . . 60.72 110.044 161.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.28 35.71 1.97 Allowed Glycine 0 CA--C 1.545 1.92 0 O-C-N 118.603 -2.561 . . . . 53.14 116.95 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -74.07 148.68 41.68 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 122.704 3.252 . . . . 36.85 106.432 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.55 168.61 51.02 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 120.112 1.324 . . . . 24.45 112.542 165.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.0 m -93.8 112.35 24.2 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 128.842 2.857 . . . . 18.87 110.585 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.18 136.44 44.75 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 120.25 -1.531 . . . . 21.96 110.459 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pp -151.35 167.75 26.95 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 115.488 -0.778 . . . . 18.72 111.463 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.86 162.03 34.77 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.22 1.867 . . . . 18.27 111.88 166.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -153.68 160.68 42.43 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.916 1.687 . . . . 14.74 108.867 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 29.0 m -120.85 137.3 54.63 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.604 2.762 . . . . 16.72 111.488 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.7 t -119.01 122.67 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 103.381 -2.822 . . . . 14.38 103.381 163.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.51 128.42 34.74 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 118.116 -2.865 . . . . 18.86 107.369 162.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -81.23 60.5 4.36 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-O 124.523 2.106 . . . . 23.47 113.942 -174.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -131.88 130.91 42.26 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.994 -1.457 . . . . 31.3 107.146 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 44.8 p30 -140.3 -156.6 0.69 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.391 -1.337 . . . . 25.24 107.391 168.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -81.13 -4.75 56.35 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 118.317 2.71 . . . . 53.57 118.317 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.59 -14.36 9.1 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-O 117.92 -1.038 . . . . 39.56 108.76 -171.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -164.99 139.16 4.97 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 122.444 2.384 . . . . 24.24 107.944 -162.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -131.34 110.83 11.35 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.507 1.146 . . . . 19.53 112.968 164.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.07 8.65 44.06 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 118.508 -0.758 . . . . 16.71 111.238 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 43.8 53.59 6.05 Favored 'General case' 0 C--O 1.251 1.153 0 C-N-CA 126.975 2.11 . . . . 22.25 115.797 173.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 23.8 p -157.81 165.05 36.3 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 111.012 -2.813 . . . . 16.19 114.471 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 139.59 25.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 117.781 -3.074 . . . . 18.27 108.238 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -112.69 137.14 51.42 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.297 -0.877 . . . . 17.48 110.996 173.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 73.6 p -107.64 130.84 54.87 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.995 1.718 . . . . 15.6 110.064 167.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -104.12 128.65 51.78 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 120.153 -1.592 . . . . 16.78 109.899 169.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.6 t -117.53 130.19 56.27 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 119.43 -2.044 . . . . 23.85 108.487 174.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 118.741 -2.475 . . . . 19.68 113.279 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -143.88 148.5 35.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.568 1.692 . . . . 20.3 115.568 174.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -90.4 129.89 36.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.534 -1.666 . . . . 27.96 109.195 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -120.12 113.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.491 1.516 . . . . 28.02 107.85 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.66 -178.09 49.35 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 124.659 2.255 . . . . 35.47 115.735 -174.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.7 -148.6 18.02 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 109.73 -1.348 . . . . 33.64 109.73 169.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.01 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.869 1.063 . . . . 29.42 113.869 -172.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.3 89.28 2.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 126.413 3.006 . . . . 31.0 106.782 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.93 56.52 Favored 'General case' 0 C--O 1.243 0.753 1 CA-C-N 106.834 -4.712 . . . . 27.14 110.762 -179.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 164.9 32.4 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 117.797 -1.561 . . . . 34.14 114.191 167.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 78.7 mt -117.63 122.44 69.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 104.506 -2.405 . . . . 21.21 104.506 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -103.1 126.33 50.23 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.341 0.867 . . . . 28.03 113.341 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 69.6 p -131.3 150.57 52.09 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.514 1.672 . . . . 18.93 115.514 -173.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.25 147.93 31.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.315 -0.866 . . . . 22.14 109.952 156.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -129.22 152.93 48.27 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 118.766 -2.459 . . . . 14.92 110.661 -177.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 27.4 mt -123.61 124.76 43.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.025 -1.443 . . . . 16.4 107.544 171.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -107.22 109.52 21.34 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.838 1.255 . . . . 19.12 112.808 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -104.45 131.54 51.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 119.359 -2.088 . . . . 18.12 114.457 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 61.5 m -103.72 143.84 32.26 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 118.724 -2.485 . . . . 20.31 106.848 176.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.43 122.79 25.96 Favored Glycine 0 C--N 1.36 1.888 0 N-CA-C 110.372 -1.091 . . . . 20.06 110.372 173.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 62.0 p -129.8 168.86 15.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 123.404 3.602 . . . . 18.45 107.393 -174.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 67.8 p -74.99 162.82 28.24 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 117.998 -2.939 . . . . 33.09 108.938 164.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.5 -26.2 68.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.176 3.398 . . . . 36.97 120.176 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.96 95.19 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-N 114.843 -1.072 . . . . 43.34 111.86 168.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -91.61 5.69 48.67 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.085 -2.26 . . . . 45.93 113.88 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.1 -21.87 62.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.914 -1.517 . . . . 26.65 111.605 -173.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -61.36 -20.61 63.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 122.707 2.503 . . . . 37.06 117.476 172.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -109.43 20.91 17.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.666 -1.271 . . . . 25.46 108.994 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 77.4 p -76.57 -25.56 54.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 117.777 -3.077 . . . . 20.06 118.663 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 20.6 m -129.59 122.68 29.6 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 125.235 3.652 . . . . 18.78 109.764 -169.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.0 mt -97.94 151.12 20.61 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 126.195 2.184 . . . . 20.54 109.724 171.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.49 137.35 56.41 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 C-N-CA 124.109 0.964 . . . . 19.91 109.824 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.76 -162.19 11.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.021 -1.232 . . . . 14.31 110.021 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.88 157.96 43.79 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 117.461 -3.376 . . . . 30.5 109.706 -175.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.38 147.38 26.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 123.487 2.858 . . . . 34.64 110.157 -174.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 54.1 m -124.41 131.23 53.5 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 127.453 2.301 . . . . 25.3 106.859 174.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -111.65 136.74 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.222 1.409 . . . . 24.7 108.619 179.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 40.6 p -125.66 175.33 7.65 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 120.429 1.468 . . . . 21.08 110.659 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.17 -8.32 55.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.514 1.672 . . . . 30.26 115.514 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 CA--C 1.557 1.213 0 N-CA-C 101.725 -3.435 . . . . 48.72 101.725 -162.451 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 60.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.46 122.09 22.48 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 124.75 2.214 . . . . 56.38 111.933 . -179.689 -93.8 -142.815 95.253 2.048 111.701 -114.348 49.833 1 1 . 1 . 001 ecloud build full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -78.26 148.51 74.49 Favored Pre-proline 0 CA--C 1.505 -0.785 0 CA-C-N 108.45 -3.977 . . . . 41.67 111.451 -164.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.5 -20.37 48.94 Favored 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 122.402 2.068 . . . . 22.3 116.837 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -63.61 -24.21 67.7 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.22 -2.175 . . . . 24.7 111.669 172.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -108.59 -45.06 3.93 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.854 -1.521 . . . . 46.21 110.181 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 7.6 p -142.61 111.44 6.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 118.801 -2.437 . . . . 54.18 111.05 -175.121 49.833 -114.348 -142.815 111.701 2.048 95.253 -93.8 -179.689 1 1 . 1 . 001 ecloud build full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.437 -2.039 . . . . 49.74 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.972 0 CA-C-O 115.304 -2.284 . . . . 43.780000000000001 112.232 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 35.96 -89.72 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 124.706 3.412 . . . . 45.020000000000003 118.634 -171.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -24.01 65.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 119.622 -1.924 . . . . 38.109999999999999 111.805 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.12 -24.82 76.32 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 119.234 -0.759 . . . . 32.030000000000001 113.635 169.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.79 -43.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 118.775 1.287 . . . . 29.23 108.368 -176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 20.5 m -48.79 130.99 18.27 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 113.697 0.999 . . . . 26.100000000000001 113.697 173.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.34 -156.42 21.82 Favored Glycine 0 C--N 1.352 1.418 0 O-C-N 124.606 1.191 . . . . 25.140000000000001 113.319 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 36.2 m -109.94 131.11 55.36 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 127.05 2.14 . . . . 22.420000000000002 110.041 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -126.7 148.06 49.89 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.266 1.426 . . . . 20.219999999999999 112.198 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.38 136.62 46.93 Favored 'General case' 0 CA--C 1.502 -0.882 0 O-C-N 118.79 -2.444 . . . . 20.379999999999999 107.568 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -93.44 178.98 5.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.915 -0.714 . . . . 27.449999999999999 110.639 172.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -67.17 -16.01 64.05 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.386 1.874 . . . . 58.450000000000003 112.201 -173.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.21 -8.92 28.79 Favored 'General case' 0 CA--C 1.492 -1.255 0 O-C-N 118.644 -2.535 . . . . 39.060000000000002 111.117 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.21 -5.19 57.45 Favored Glycine 0 CA--C 1.548 2.108 0 CA-C-O 116.1 -2.5 . . . . 36.149999999999999 115.187 -174.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 145.68 53.55 Favored 'General case' 0 C--O 1.246 0.917 1 CA-C-N 124.994 4.397 . . . . 28.030000000000001 112.435 172.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -118.7 129.71 55.43 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 124.314 2.007 . . . . 24.420000000000002 113.461 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . 0.284 4.8 t80 -118.9 122.85 43.25 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 112.61 -2.086 . . . . 32.990000000000002 106.087 -175.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.8 mt -117.86 117.5 55.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 119.387 -2.07 . . . . 30.329999999999998 110.301 176.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.28 143.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 119.847 -1.783 . . . . 26.469999999999999 114.742 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 52.1 m -107.5 122.94 47.66 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 105.485 -2.042 . . . . 24.48 105.485 165.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.22 123.88 35.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 105.032 -2.21 . . . . 22.859999999999999 105.032 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.47 163.5 35.59 Favored Glycine 0 CA--C 1.539 1.593 1 O-C-N 116.267 -4.021 . . . . 29.43 110.569 -177.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -35.91 70.8 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 113.987 1.106 . . . . 38.289999999999999 113.987 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -107.26 42.69 1.27 Allowed 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 117.748 2.499 . . . . 40.759999999999998 117.748 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.24 63.51 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-O 117.089 -1.951 . . . . 22.219999999999999 114.653 163.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.94 142.47 36.67 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-N 120.381 2.09 . . . . 19.02 116.366 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.97 125.2 52.21 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 119.904 -1.748 . . . . 20.739999999999998 108.107 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.0 p -134.01 148.42 51.11 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 124.892 3.496 . . . . 28.559999999999999 107.683 175.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.3 -159.21 32.32 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 122.539 2.427 . . . . 18.309999999999999 112.273 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -137.64 152.96 49.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.158 0.979 . . . . 17.719999999999999 111.142 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -113.23 131.74 55.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 105.39 -2.078 . . . . 33.460000000000001 105.39 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -125.27 130.41 51.98 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 123.774 2.988 . . . . 52.390000000000001 106.216 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.31 174.71 9.85 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 122.914 1.34 . . . . 45.579999999999998 111.646 -177.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.5 163.75 1.19 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.864 -1.062 . . . . 43.149999999999999 109.87 164.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t 72.52 -35.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.322 2.249 . . . . 44.090000000000003 109.014 -164.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.86 17.49 77.08 Favored Glycine 0 N--CA 1.465 0.584 0 CA-C-N 121.659 2.027 . . . . 42.590000000000003 114.635 163.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.33 151.16 42.9 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 126.985 3.278 . . . . 41.93 114.868 -177.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -7.01 0.51 Allowed 'General case' 0 N--CA 1.437 -1.122 1 CA-C-N 107.342 -4.481 . . . . 41.850000000000001 117.601 178.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -156.98 86.11 0.96 Allowed 'General case' 0 C--O 1.255 1.374 1 CA-C-O 130.907 5.146 . . . . 43.350000000000001 121.678 131.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.91 26.32 9.37 Favored 'General case' 0 N--CA 1.432 -1.369 1 CA-C-N 101.45 -7.159 . . . . 35.380000000000003 108.551 137.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -89.63 135.24 33.72 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 126.379 1.871 . . . . 45.770000000000003 111.132 170.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -139.26 142.46 37.78 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 104.855 -2.276 . . . . 22.210000000000001 104.855 -175.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -71.01 137.85 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.673 2.389 . . . . 21.5 113.543 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 pp -122.97 149.76 43.86 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 123.045 1.402 . . . . 21.890000000000001 111.048 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.9 t -140.34 143.21 35.65 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 120.986 -1.071 . . . . 19.469999999999999 109.02 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.06 12.98 Favored Glycine 0 C--N 1.341 0.824 0 O-C-N 120.921 -1.112 . . . . 20.219999999999999 113.362 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -145.55 149.25 34.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.154 0.981 . . . . 20.489999999999998 109.366 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -138.73 160.9 38.52 Favored 'General case' 0 CA--C 1.56 1.334 0 O-C-N 119.596 -1.94 . . . . 22.699999999999999 109.712 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -72.74 108.13 5.56 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.444 -2.035 . . . . 18.960000000000001 109.988 170.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -80.59 -7.94 59.43 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.644 2.09 . . . . 27.239999999999998 116.644 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.64 67.77 59.53 Favored Pre-proline 0 N--CA 1.48 1.033 0 O-C-N 118.804 -2.435 . . . . 25.670000000000002 111.426 169.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.36 167.27 27.39 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 C-N-CA 123.698 2.932 . . . . 33.030000000000001 112.406 -170.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.81 151.83 43.16 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 118.762 -1.175 . . . . 46.520000000000003 108.856 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 p -85.77 -20.79 28.72 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 119.083 2.994 . . . . 57.460000000000001 119.083 -176.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -59.96 -173.57 0.02 OUTLIER 'General case' 0 C--O 1.252 1.206 0 O-C-N 119.431 -2.043 . . . . 60.719999999999999 110.044 161.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.28 35.71 1.97 Allowed Glycine 0 CA--C 1.545 1.92 0 O-C-N 118.603 -2.561 . . . . 53.140000000000001 116.95 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -74.07 148.68 41.68 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 122.704 3.252 . . . . 36.850000000000001 106.432 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.55 168.61 51.02 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 120.112 1.324 . . . . 24.449999999999999 112.542 165.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 27.0 m -93.8 112.35 24.2 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 128.842 2.857 . . . . 18.870000000000001 110.585 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.18 136.44 44.75 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 120.25 -1.531 . . . . 21.960000000000001 110.459 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pp -151.35 167.75 26.95 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 115.488 -0.778 . . . . 18.719999999999999 111.463 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.86 162.03 34.77 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.22 1.867 . . . . 18.27 111.88 166.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -153.68 160.68 42.43 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.916 1.687 . . . . 14.74 108.867 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 29.0 m -120.85 137.3 54.63 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.604 2.762 . . . . 16.719999999999999 111.488 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.7 t -119.01 122.67 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 103.381 -2.822 . . . . 14.380000000000001 103.381 163.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.51 128.42 34.74 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 118.116 -2.865 . . . . 18.859999999999999 107.369 162.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -81.23 60.5 4.36 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-O 124.523 2.106 . . . . 23.469999999999999 113.942 -174.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -131.88 130.91 42.26 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 113.994 -1.457 . . . . 31.300000000000001 107.146 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 44.8 p30 -140.3 -156.6 0.69 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.391 -1.337 . . . . 25.239999999999998 107.391 168.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -81.13 -4.75 56.35 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 118.317 2.71 . . . . 53.57 118.317 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.59 -14.36 9.1 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-O 117.92 -1.038 . . . . 39.560000000000002 108.76 -171.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -164.99 139.16 4.97 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 122.444 2.384 . . . . 24.239999999999998 107.944 -162.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -131.34 110.83 11.35 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.507 1.146 . . . . 19.530000000000001 112.968 164.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.07 8.65 44.06 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 118.508 -0.758 . . . . 16.710000000000001 111.238 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 43.8 53.59 6.05 Favored 'General case' 0 C--O 1.251 1.153 0 C-N-CA 126.975 2.11 . . . . 22.25 115.797 173.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 23.8 p -157.81 165.05 36.3 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 111.012 -2.813 . . . . 16.190000000000001 114.471 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 139.59 25.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 117.781 -3.074 . . . . 18.27 108.238 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -112.69 137.14 51.42 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.297 -0.877 . . . . 17.48 110.996 173.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 73.6 p -107.64 130.84 54.87 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.995 1.718 . . . . 15.6 110.064 167.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -104.12 128.65 51.78 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 120.153 -1.592 . . . . 16.780000000000001 109.899 169.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.6 t -117.53 130.19 56.27 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 119.43 -2.044 . . . . 23.850000000000001 108.487 174.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 118.741 -2.475 . . . . 19.68 113.279 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -143.88 148.5 35.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.568 1.692 . . . . 20.300000000000001 115.568 174.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -90.4 129.89 36.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.534 -1.666 . . . . 27.960000000000001 109.195 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -120.12 113.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.491 1.516 . . . . 28.02 107.85 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.66 -178.09 49.35 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 124.659 2.255 . . . . 35.469999999999999 115.735 -174.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.7 -148.6 18.02 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 109.73 -1.348 . . . . 33.640000000000001 109.73 169.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.01 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.869 1.063 . . . . 29.420000000000002 113.869 -172.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.3 89.28 2.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 126.413 3.006 . . . . 31.0 106.782 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 136.93 56.52 Favored 'General case' 0 C--O 1.243 0.753 1 CA-C-N 106.834 -4.712 . . . . 27.140000000000001 110.762 -179.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 164.9 32.4 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 117.797 -1.561 . . . . 34.140000000000001 114.191 167.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 78.7 mt -117.63 122.44 69.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 104.506 -2.405 . . . . 21.210000000000001 104.506 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -103.1 126.33 50.23 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.341 0.867 . . . . 28.030000000000001 113.341 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 69.6 p -131.3 150.57 52.09 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 115.514 1.672 . . . . 18.93 115.514 -173.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.25 147.93 31.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.315 -0.866 . . . . 22.140000000000001 109.952 156.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -129.22 152.93 48.27 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 118.766 -2.459 . . . . 14.92 110.661 -177.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 27.4 mt -123.61 124.76 43.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.025 -1.443 . . . . 16.399999999999999 107.544 171.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -107.22 109.52 21.34 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.838 1.255 . . . . 19.120000000000001 112.808 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -104.45 131.54 51.71 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 119.359 -2.088 . . . . 18.120000000000001 114.457 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 61.5 m -103.72 143.84 32.26 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 118.724 -2.485 . . . . 20.309999999999999 106.848 176.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.43 122.79 25.96 Favored Glycine 0 C--N 1.36 1.888 0 N-CA-C 110.372 -1.091 . . . . 20.059999999999999 110.372 173.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 62.0 p -129.8 168.86 15.91 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 123.404 3.602 . . . . 18.449999999999999 107.393 -174.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 67.8 p -74.99 162.82 28.24 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 117.998 -2.939 . . . . 33.090000000000003 108.938 164.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.5 -26.2 68.42 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 120.176 3.398 . . . . 36.969999999999999 120.176 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.96 95.19 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-N 114.843 -1.072 . . . . 43.340000000000003 111.86 168.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -91.61 5.69 48.67 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.085 -2.26 . . . . 45.93 113.88 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.1 -21.87 62.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 116.914 -1.517 . . . . 26.649999999999999 111.605 -173.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -61.36 -20.61 63.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 122.707 2.503 . . . . 37.060000000000002 117.476 172.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -109.43 20.91 17.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.666 -1.271 . . . . 25.460000000000001 108.994 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 77.4 p -76.57 -25.56 54.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 117.777 -3.077 . . . . 20.059999999999999 118.663 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 20.6 m -129.59 122.68 29.6 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 125.235 3.652 . . . . 18.780000000000001 109.764 -169.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 32.0 mt -97.94 151.12 20.61 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 126.195 2.184 . . . . 20.539999999999999 109.724 171.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.49 137.35 56.41 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 C-N-CA 124.109 0.964 . . . . 19.91 109.824 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.76 -162.19 11.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.021 -1.232 . . . . 14.31 110.021 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.88 157.96 43.79 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 117.461 -3.376 . . . . 30.5 109.706 -175.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.38 147.38 26.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 123.487 2.858 . . . . 34.640000000000001 110.157 -174.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 54.1 m -124.41 131.23 53.5 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 127.453 2.301 . . . . 25.300000000000001 106.859 174.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -111.65 136.74 50.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.222 1.409 . . . . 24.699999999999999 108.619 179.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 40.6 p -125.66 175.33 7.65 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 120.429 1.468 . . . . 21.079999999999998 110.659 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.17 -8.32 55.54 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.514 1.672 . . . . 30.260000000000002 115.514 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 CA--C 1.557 1.213 0 N-CA-C 101.725 -3.435 . . . . 48.719999999999999 101.725 -162.451 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 60.780000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.46 122.09 22.48 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 124.75 2.214 . . . . 56.380000000000003 111.933 . -179.689 -93.8 -142.815 95.253 2.048 111.701 -114.348 49.833 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -78.26 148.51 74.49 Favored Pre-proline 0 CA--C 1.505 -0.785 0 CA-C-N 108.45 -3.977 . . . . 41.670000000000002 111.451 -164.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.5 -20.37 48.94 Favored 'Trans proline' 0 N--CA 1.444 -1.419 0 C-N-CA 122.402 2.068 . . . . 22.300000000000001 116.837 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -63.61 -24.21 67.7 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.22 -2.175 . . . . 24.699999999999999 111.669 172.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -108.59 -45.06 3.93 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 113.854 -1.521 . . . . 46.210000000000001 110.181 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 7.6 p -142.61 111.44 6.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 118.801 -2.437 . . . . 54.18 111.05 -175.121 49.833 -114.348 -142.815 111.701 2.048 95.253 -93.8 -179.689 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.437 -2.039 . . . . 49.740000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_