data_1vwd_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 1vwd _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 1.448 -0.553 0 CA-C-O 116.376 -1.773 . . . . 44.710000000000001 108.517 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 29.79 -84.06 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.468 2.707 . . . . 49.880000000000003 115.626 -172.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.25 82.21 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 117.478 -1.249 . . . . 41.780000000000001 109.562 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.27 -30.27 67.31 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 120.074 1.306 . . . . 34.859999999999999 114.098 175.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -81.12 -36.05 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-N 118.332 1.066 . . . . 21.550000000000001 109.986 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 47.6 m -61.52 130.75 47.48 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 122.216 1.007 . . . . 22.23 109.843 -177.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.06 -162.52 25.63 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.422 -0.798 . . . . 18.350000000000001 114.023 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -107.83 132.91 52.92 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.264 1.026 . . . . 17.59 109.886 -174.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -125.15 148.54 48.54 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.473 1.109 . . . . 18.649999999999999 109.772 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.0 135.85 46.85 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 106.541 -1.651 . . . . 17.079999999999998 106.541 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -99.12 -176.84 3.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 117.915 -1.514 . . . . 26.780000000000001 112.759 170.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.19 -35.42 77.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 122.251 1.024 . . . . 43.759999999999998 113.205 -176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.85 -9.32 58.84 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.551 -1.214 . . . . 52.799999999999997 109.811 -173.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.39 48.26 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 123.13 2.696 . . . . 43.020000000000003 115.968 -173.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.6 m -80.45 159.48 25.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 123.285 3.542 . . . . 28.66 109.652 163.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.8 m -130.81 138.78 50.06 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 116.909 -1.52 . . . . 32.729999999999997 110.373 -177.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -131.54 153.24 50.04 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 122.14 2.245 . . . . 23.670000000000002 112.662 158.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.24 126.33 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 0 N-CA-C 103.724 -2.695 . . . . 31.640000000000001 103.724 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.25 139.47 45.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 C-N-CA 124.988 1.315 . . . . 19.75 113.52 -174.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 91.4 m -107.93 126.26 52.48 Favored 'General case' 0 C--O 1.251 1.137 0 N-CA-C 108.847 -0.797 . . . . 26.510000000000002 108.847 167.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.38 112.68 24.47 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.748 -0.834 . . . . 24.350000000000001 108.748 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.99 169.04 47.83 Favored Glycine 0 N--CA 1.448 -0.561 0 O-C-N 120.39 -1.444 . . . . 31.489999999999998 109.904 -176.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.58 93.59 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.27 1.582 . . . . 41.119999999999997 115.27 -172.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -102.36 46.16 0.94 Allowed 'General case' 0 C--O 1.242 0.663 0 N-CA-C 118.297 2.703 . . . . 34.979999999999997 118.297 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.65 -1.72 75.87 Favored Glycine 0 CA--C 1.544 1.906 0 N-CA-C 117.59 1.796 . . . . 24.09 117.59 174.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.98 141.29 30.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.878 1.839 . . . . 17.670000000000002 112.424 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.74 124.15 45.49 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 105.844 -1.91 . . . . 19.280000000000001 105.844 169.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.1 p -134.97 150.6 50.39 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-N 122.28 2.309 . . . . 24.809999999999999 108.88 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.96 -152.21 18.74 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 120.358 1.435 . . . . 15.199999999999999 113.044 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.6 p -142.38 150.29 40.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.25 1.025 . . . . 25.800000000000001 110.319 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -115.71 131.11 57.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 104.036 -2.579 . . . . 17.449999999999999 104.036 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . 0.259 43.7 mt-10 -117.62 121.77 41.82 Favored 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 104.201 -2.518 . . . . 57.880000000000003 104.201 173.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.655 1.217 . . . . 50.030000000000001 113.494 178.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.89 132.86 45.41 Favored 'General case' 0 N--CA 1.431 -1.41 1 N-CA-C 98.961 -4.459 . . . . 55.979999999999997 98.961 179.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -7.78 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.237 -1.347 . . . . 64.489999999999995 113.067 -177.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.62 -69.51 1.36 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.636 -1.385 . . . . 62.520000000000003 109.636 171.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -93.39 136.76 33.35 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 119.023 2.972 . . . . 62.520000000000003 119.023 -156.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.41 10.47 0.17 Allowed 'General case' 0 N--CA 1.443 -0.807 1 CA-C-N 108.279 -4.055 . . . . 53.030000000000001 117.93 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . 0.417 ' CA ' ' H ' ' B' ' 53' ' ' ARG . 2.2 tt0 -157.59 71.02 0.61 Allowed 'General case' 0 C--O 1.256 1.428 1 CA-C-O 129.925 4.678 . . . . 55.259999999999998 121.242 133.063 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.8 p -91.65 16.38 10.7 Favored 'General case' 0 CA--C 1.553 1.069 1 CA-C-N 102.311 -6.768 . . . . 37.25 107.897 136.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . 0.417 ' H ' ' CA ' ' B' ' 51' ' ' GLU . 25.7 mtt180 -90.78 128.72 36.8 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.577 -1.327 . . . . 26.699999999999999 114.209 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.46 144.51 49.52 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.29 1.836 . . . . 19.25 109.861 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.37 135.26 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 119.882 -1.761 . . . . 16.010000000000002 112.128 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.48 145.78 43.95 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 113.308 0.855 . . . . 21.300000000000001 113.308 169.185 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.6 t -141.97 142.53 32.98 Favored 'General case' 0 C--O 1.252 1.19 0 C-N-CA 122.822 0.449 . . . . 23.489999999999998 110.7 174.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.7 -165.89 24.84 Favored Glycine 0 CA--C 1.543 1.835 0 O-C-N 120.129 -1.607 . . . . 14.42 112.433 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -143.79 149.29 36.82 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 124.719 1.208 . . . . 17.379999999999999 109.016 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -131.79 157.26 44.34 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.549 -0.72 . . . . 22.039999999999999 109.221 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -112.06 93.02 4.24 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 122.264 1.03 . . . . 23.309999999999999 109.856 -175.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 30.3 t -63.72 133.09 52.93 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 112.469 -2.15 . . . . 40.649999999999999 114.155 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.0 147.55 17.75 Favored Pre-proline 0 N--CA 1.449 -0.493 0 O-C-N 117.916 -2.99 . . . . 49.939999999999998 112.563 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.31 122.97 11.34 Favored 'Trans proline' 0 C--O 1.242 0.723 0 C-N-CA 123.478 2.785 . . . . 50.200000000000003 112.861 168.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.44 136.77 52.97 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.204 -1.406 . . . . 52.409999999999997 107.204 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.65 14.02 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.119 0.961 . . . . 54.030000000000001 111.972 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -140.67 9.2 2.19 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.168 -0.957 . . . . 57.460000000000001 112.952 -169.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.73 20.89 79.33 Favored Glycine 0 CA--C 1.536 1.375 0 N-CA-C 117.039 1.575 . . . . 54.75 117.039 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.0 m -57.05 148.11 22.51 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.687 1.365 . . . . 43.729999999999997 114.687 169.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.68 163.22 49.96 Favored Glycine 0 CA--C 1.541 1.676 0 O-C-N 124.857 1.348 . . . . 27.109999999999999 111.93 166.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 35.9 m -98.68 114.85 27.52 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 117.596 -1.193 . . . . 17.829999999999998 108.89 174.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.18 137.49 54.88 Favored 'General case' 0 C--O 1.26 1.621 0 CA-C-N 119.681 1.128 . . . . 15.82 112.657 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.96 171.1 17.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.217 -0.447 . . . . 19.850000000000001 110.624 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -161.13 155.48 26.67 Favored Glycine 0 C--O 1.255 1.464 0 N-CA-C 107.453 -2.259 . . . . 14.41 107.453 174.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -151.46 161.85 41.98 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 118.742 1.271 . . . . 14.08 110.182 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 31.8 m -122.24 141.35 51.58 Favored 'General case' 0 C--O 1.256 1.446 0 C-N-CA 126.748 2.019 . . . . 13.52 109.307 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 80.6 t -124.62 122.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 N-CA-C 104.338 -2.467 . . . . 13.52 104.338 165.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.41 131.6 34.25 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 107.992 -1.114 . . . . 13.01 107.992 166.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -89.92 64.1 6.22 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 119.541 -1.974 . . . . 16.469999999999999 113.034 -168.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -138.75 128.94 25.56 Favored 'General case' 0 C--O 1.262 1.736 0 CA-C-N 112.693 -2.049 . . . . 35.109999999999999 109.829 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -146.07 -161.75 1.38 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.495 -1.684 . . . . 19.609999999999999 109.168 171.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -75.04 -5.98 47.0 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 116.589 2.07 . . . . 34.549999999999997 116.589 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -119.43 -11.22 9.53 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.129 -1.607 . . . . 44.170000000000002 111.473 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . 0.93 ' CD ' ' O ' ' B' ' 426' ' ' HOH . 37.5 tpt85 -160.58 139.8 10.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 121.294 1.861 . . . . 20.039999999999999 108.108 -167.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -137.16 96.76 3.34 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 123.998 1.856 . . . . 18.989999999999998 108.486 171.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.24 9.24 20.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 116.48 2.03 . . . . 18.010000000000002 116.48 -175.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.48 48.57 22.67 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.52 2.105 . . . . 15.66 113.331 173.004 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.6 p -162.43 165.1 26.76 Favored 'General case' 0 C--O 1.253 1.25 0 O-C-N 120.362 -1.461 . . . . 13.84 111.318 -174.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.33 143.24 26.75 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 107.216 -1.402 . . . . 13.199999999999999 107.216 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 98.8 m -114.01 140.8 48.14 Favored 'General case' 0 CA--C 1.561 1.397 0 O-C-N 120.585 -1.322 . . . . 11.43 110.237 174.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.5 p -113.05 137.39 51.49 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 124.182 0.993 . . . . 14.9 111.727 165.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -114.69 134.22 55.26 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 105.533 -2.025 . . . . 15.09 105.533 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t -126.09 129.79 49.8 Favored 'General case' 0 C--O 1.248 0.986 0 N-CA-C 106.879 -1.526 . . . . 16.920000000000002 106.879 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.53 -155.02 13.49 Favored Glycine 0 CA--C 1.535 1.299 0 O-C-N 119.071 -2.268 . . . . 11.359999999999999 112.059 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -144.37 142.46 30.38 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 116.61 2.078 . . . . 22.870000000000001 116.61 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -84.88 131.04 34.56 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 113.144 -1.844 . . . . 23.48 111.12 174.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.46 121.36 62.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.993 -1.854 . . . . 35.380000000000003 105.993 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.93 -165.69 40.93 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 119.645 -1.909 . . . . 33.32 113.615 -176.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.51 -165.24 14.76 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 114.0 -1.1 . . . . 30.73 110.366 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.1 67.45 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.617 0.599 . . . . 32.18 112.617 -172.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -121.58 70.48 0.94 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 126.051 2.834 . . . . 30.91 114.955 162.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.2 138.63 25.58 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 109.492 -3.504 . . . . 24.170000000000002 112.22 170.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.19 160.19 43.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.905 -1.122 . . . . 37.460000000000001 110.894 171.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.13 121.19 66.94 Favored 'Isoleucine or valine' 0 C--O 1.259 1.603 0 N-CA-C 104.393 -2.447 . . . . 17.73 104.393 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -103.98 132.42 50.25 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 119.507 -0.877 . . . . 34.060000000000002 109.599 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 38.6 p -137.06 155.42 49.68 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-O 121.479 0.657 . . . . 13.869999999999999 112.569 -172.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -114.9 150.09 36.18 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.689 -1.597 . . . . 26.559999999999999 106.689 159.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -133.01 154.29 50.67 Favored 'General case' 0 C--O 1.244 0.769 0 O-C-N 120.511 -1.368 . . . . 15.949999999999999 113.408 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -125.25 121.49 34.21 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.266 -1.334 . . . . 13.890000000000001 108.802 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 5.7 tp -111.29 118.27 35.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.638 -1.289 . . . . 22.09 109.164 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.9 m -112.67 132.96 54.94 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 121.259 -0.901 . . . . 16.91 110.344 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 40.2 m -100.67 143.65 30.59 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.65 1.18 . . . . 22.620000000000001 111.922 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.22 129.46 37.53 Favored Glycine 0 CA--C 1.543 1.809 0 O-C-N 120.183 -1.573 . . . . 21.68 109.399 172.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -129.03 170.69 13.18 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 122.717 3.258 . . . . 22.48 108.643 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 46.8 p -74.17 170.56 15.28 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.593 -1.262 . . . . 33.920000000000002 107.593 163.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -70.07 -28.76 65.69 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 118.255 -2.778 . . . . 43.390000000000001 116.108 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.73 76.24 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 114.607 -1.178 . . . . 45.850000000000001 110.914 170.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -98.6 8.48 44.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 116.301 1.963 . . . . 45.920000000000002 116.301 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.41 67.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 112.139 0.422 . . . . 28.370000000000001 112.139 -172.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -64.23 -24.72 67.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.663 -3.148 . . . . 53.299999999999997 113.705 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -94.98 16.93 14.89 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.538 -1.351 . . . . 25.469999999999999 112.324 176.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -81.13 -22.79 38.79 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 118.341 -2.725 . . . . 20.530000000000001 116.717 -172.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -126.58 115.77 20.02 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.274 1.852 . . . . 13.75 113.088 -168.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.81 151.57 21.12 Favored 'General case' 0 C--O 1.255 1.361 0 CA-C-N 113.68 -1.6 . . . . 19.27 109.777 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.53 142.67 43.29 Favored 'Isoleucine or valine' 0 C--O 1.254 1.342 0 O-C-N 124.661 1.226 . . . . 13.98 108.589 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -161.81 -165.47 18.76 Favored Glycine 0 C--O 1.251 1.168 0 N-CA-C 110.446 -1.062 . . . . 12.369999999999999 110.446 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -146.7 155.01 42.09 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.51 -1.582 . . . . 24.77 109.091 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -142.82 146.09 33.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.876 1.27 . . . . 43.539999999999999 111.586 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 32.5 m -121.14 131.98 54.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.875 0.87 . . . . 25.32 110.627 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.42 142.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.776 -0.824 . . . . 17.100000000000001 108.776 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 53.9 p -133.36 170.35 15.59 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.272 -1.01 . . . . 23.23 108.272 176.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . 1.047 ' NZ ' ' O ' ' B' ' 331' ' ' HOH . 2.2 mmpt? -87.53 -10.9 50.39 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.584 -0.698 . . . . 36.090000000000003 112.819 -175.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . 0.254 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 103.605 -2.739 . . . . 42.890000000000001 103.605 -169.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.282 . . . . . . . . 39.039999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 54.1 t -173.22 70.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 1 N-CA-C 99.213 -4.365 . . . . 42.43 99.213 . -179.492 -31.627 112.711 112.166 2.023 104.566 172.873 85.808 2 2 . 1 . 001 ecloud orig full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -74.49 144.8 81.44 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 106.96 -1.496 . . . . 36.630000000000003 106.96 -172.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.54 -12.84 9.25 Favored 'Trans proline' 0 N--CA 1.43 -2.243 0 C-N-CA 121.844 1.696 . . . . 28.960000000000001 114.287 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -73.2 -29.18 62.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 125.032 3.56 . . . . 30.0 112.869 -179.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -110.12 -49.81 3.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 111.319 -2.673 . . . . 45.380000000000003 107.899 -168.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -107.61 127.32 53.54 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 120.07 1.305 . . . . 45.340000000000003 109.015 -178.57 85.808 172.873 112.711 104.566 2.023 112.166 -31.627 -179.492 1 1 . 1 . 001 ecloud orig full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.666 0 O-C-N 118.155 -2.841 . . . . 40.289999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' 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 ' 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 ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' 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 ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 274' ' ' 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 ' 293' ' ' 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 ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HOH . . . . . 1.047 ' O ' ' NZ ' ' B' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 ' 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 ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 426' ' ' HOH . . . . . 0.93 ' O ' ' CD ' ' B' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 477' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 485' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 490' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 116.376 -1.773 . . . . 44.710000000000001 108.517 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 29.79 -84.06 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.468 2.707 . . . . 49.880000000000003 115.626 -172.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.25 82.21 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 117.478 -1.249 . . . . 41.780000000000001 109.562 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.27 -30.27 67.31 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 120.074 1.306 . . . . 34.859999999999999 114.098 175.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -81.12 -36.05 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-N 118.332 1.066 . . . . 21.550000000000001 109.986 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 47.6 m -61.52 130.75 47.48 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 122.216 1.007 . . . . 22.23 109.843 -177.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.06 -162.52 25.63 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.422 -0.798 . . . . 18.350000000000001 114.023 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -107.83 132.91 52.92 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.264 1.026 . . . . 17.59 109.886 -174.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -125.15 148.54 48.54 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.473 1.109 . . . . 18.649999999999999 109.772 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.0 135.85 46.85 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 106.541 -1.651 . . . . 17.079999999999998 106.541 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -99.12 -176.84 3.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 117.915 -1.514 . . . . 26.780000000000001 112.759 170.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.19 -35.42 77.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 122.251 1.024 . . . . 43.759999999999998 113.205 -176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.85 -9.32 58.84 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.551 -1.214 . . . . 52.799999999999997 109.811 -173.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.39 48.26 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 123.13 2.696 . . . . 43.020000000000003 115.968 -173.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.6 m -80.45 159.48 25.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 123.285 3.542 . . . . 28.66 109.652 163.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.8 m -130.81 138.78 50.06 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 116.909 -1.52 . . . . 32.729999999999997 110.373 -177.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -131.54 153.24 50.04 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 122.14 2.245 . . . . 23.670000000000002 112.662 158.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.24 126.33 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 0 N-CA-C 103.724 -2.695 . . . . 31.640000000000001 103.724 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.25 139.47 45.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 C-N-CA 124.988 1.315 . . . . 19.75 113.52 -174.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 91.4 m -107.93 126.26 52.48 Favored 'General case' 0 C--O 1.251 1.137 0 N-CA-C 108.847 -0.797 . . . . 26.510000000000002 108.847 167.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.38 112.68 24.47 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.748 -0.834 . . . . 24.350000000000001 108.748 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.99 169.04 47.83 Favored Glycine 0 N--CA 1.448 -0.561 0 O-C-N 120.39 -1.444 . . . . 31.489999999999998 109.904 -176.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.58 93.59 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.27 1.582 . . . . 41.119999999999997 115.27 -172.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -102.36 46.16 0.94 Allowed 'General case' 0 C--O 1.242 0.663 0 N-CA-C 118.297 2.703 . . . . 34.979999999999997 118.297 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.65 -1.72 75.87 Favored Glycine 0 CA--C 1.544 1.906 0 N-CA-C 117.59 1.796 . . . . 24.09 117.59 174.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.98 141.29 30.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.878 1.839 . . . . 17.670000000000002 112.424 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . 0.45 HD21 HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -119.74 124.15 45.49 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 105.844 -1.91 . . . . 19.280000000000001 105.844 169.601 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.1 p -134.97 150.6 50.39 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-N 122.28 2.309 . . . . 24.809999999999999 108.88 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.96 -152.21 18.74 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 120.358 1.435 . . . . 15.199999999999999 113.044 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.6 p -142.38 150.29 40.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.25 1.025 . . . . 25.800000000000001 110.319 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -115.71 131.11 57.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 104.036 -2.579 . . . . 17.449999999999999 104.036 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' B' ' 53' ' ' ARG 0.259 43.7 mt-10 -117.62 121.77 41.82 Favored 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 104.201 -2.518 . . . . 57.880000000000003 104.201 173.427 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . 0.529 ' HB3' ' O ' ' P' ' 3' ' ' PRO . 0.0 OUTLIER -66.52 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.655 1.217 . . . . 50.030000000000001 113.494 178.598 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.89 132.86 45.41 Favored 'General case' 0 N--CA 1.431 -1.41 1 N-CA-C 98.961 -4.459 . . . . 55.979999999999997 98.961 179.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -7.78 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.237 -1.347 . . . . 64.489999999999995 113.067 -177.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.62 -69.51 1.36 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.636 -1.385 . . . . 62.520000000000003 109.636 171.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -93.39 136.76 33.35 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 119.023 2.972 . . . . 62.520000000000003 119.023 -156.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.41 10.47 0.17 Allowed 'General case' 0 N--CA 1.443 -0.807 1 CA-C-N 108.279 -4.055 . . . . 53.030000000000001 117.93 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . 0.67 ' HG2' ' ND2' ' B' ' 81' ' ' ASN . 2.2 tt0 -157.59 71.02 0.61 Allowed 'General case' 0 C--O 1.256 1.428 1 CA-C-O 129.925 4.678 . . . . 55.259999999999998 121.242 133.063 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . 0.401 ' HB2' ' OG ' ' B' ' 45' ' ' SER . 29.8 p -91.65 16.38 10.7 Favored 'General case' 0 CA--C 1.553 1.069 1 CA-C-N 102.311 -6.768 . . . . 37.25 107.897 136.979 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . 0.592 ' H ' ' HA ' ' B' ' 51' ' ' GLU . 25.7 mtt180 -90.78 128.72 36.8 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.577 -1.327 . . . . 26.699999999999999 114.209 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.46 144.51 49.52 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.29 1.836 . . . . 19.25 109.861 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.37 135.26 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 119.882 -1.761 . . . . 16.010000000000002 112.128 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.48 145.78 43.95 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 113.308 0.855 . . . . 21.300000000000001 113.308 169.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.6 t -141.97 142.53 32.98 Favored 'General case' 0 C--O 1.252 1.19 0 C-N-CA 122.822 0.449 . . . . 23.489999999999998 110.7 174.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.7 -165.89 24.84 Favored Glycine 0 CA--C 1.543 1.835 0 O-C-N 120.129 -1.607 . . . . 14.42 112.433 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -143.79 149.29 36.82 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 124.719 1.208 . . . . 17.379999999999999 109.016 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -131.79 157.26 44.34 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.549 -0.72 . . . . 22.039999999999999 109.221 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -112.06 93.02 4.24 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 122.264 1.03 . . . . 23.309999999999999 109.856 -175.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 30.3 t -63.72 133.09 52.93 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 112.469 -2.15 . . . . 40.649999999999999 114.155 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.0 147.55 17.75 Favored Pre-proline 0 N--CA 1.449 -0.493 0 O-C-N 117.916 -2.99 . . . . 49.939999999999998 112.563 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.31 122.97 11.34 Favored 'Trans proline' 0 C--O 1.242 0.723 0 C-N-CA 123.478 2.785 . . . . 50.200000000000003 112.861 168.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.44 136.77 52.97 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.204 -1.406 . . . . 52.409999999999997 107.204 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.65 14.02 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.119 0.961 . . . . 54.030000000000001 111.972 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -140.67 9.2 2.19 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.168 -0.957 . . . . 57.460000000000001 112.952 -169.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.73 20.89 79.33 Favored Glycine 0 CA--C 1.536 1.375 0 N-CA-C 117.039 1.575 . . . . 54.75 117.039 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.0 m -57.05 148.11 22.51 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.687 1.365 . . . . 43.729999999999997 114.687 169.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.68 163.22 49.96 Favored Glycine 0 CA--C 1.541 1.676 0 O-C-N 124.857 1.348 . . . . 27.109999999999999 111.93 166.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 35.9 m -98.68 114.85 27.52 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 117.596 -1.193 . . . . 17.829999999999998 108.89 174.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.18 137.49 54.88 Favored 'General case' 0 C--O 1.26 1.621 0 CA-C-N 119.681 1.128 . . . . 15.82 112.657 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . 0.45 HD12 HD21 ' B' ' 39' ' ' LEU . 2.1 pp -150.96 171.1 17.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.217 -0.447 . . . . 19.850000000000001 110.624 -179.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -161.13 155.48 26.67 Favored Glycine 0 C--O 1.255 1.464 0 N-CA-C 107.453 -2.259 . . . . 14.41 107.453 174.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -151.46 161.85 41.98 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 118.742 1.271 . . . . 14.08 110.182 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 31.8 m -122.24 141.35 51.58 Favored 'General case' 0 C--O 1.256 1.446 0 C-N-CA 126.748 2.019 . . . . 13.52 109.307 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 80.6 t -124.62 122.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 N-CA-C 104.338 -2.467 . . . . 13.52 104.338 165.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.41 131.6 34.25 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 107.992 -1.114 . . . . 13.01 107.992 166.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -89.92 64.1 6.22 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 119.541 -1.974 . . . . 16.469999999999999 113.034 -168.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -138.75 128.94 25.56 Favored 'General case' 0 C--O 1.262 1.736 0 CA-C-N 112.693 -2.049 . . . . 35.109999999999999 109.829 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ASN . . . . . 0.67 ' ND2' ' HG2' ' B' ' 51' ' ' GLU . 54.1 p30 -146.07 -161.75 1.38 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.495 -1.684 . . . . 19.609999999999999 109.168 171.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -75.04 -5.98 47.0 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 116.589 2.07 . . . . 34.549999999999997 116.589 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -119.43 -11.22 9.53 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.129 -1.607 . . . . 44.170000000000002 111.473 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . 1.088 ' HD2' ' O ' ' B' ' 426' ' ' HOH . 37.5 tpt85 -160.58 139.8 10.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 121.294 1.861 . . . . 28.629999999999999 108.108 -167.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -137.16 96.76 3.34 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 123.998 1.856 . . . . 18.989999999999998 108.486 171.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.24 9.24 20.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 116.48 2.03 . . . . 18.010000000000002 116.48 -175.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.48 48.57 22.67 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.52 2.105 . . . . 22.760000000000002 113.331 173.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.6 p -162.43 165.1 26.76 Favored 'General case' 0 C--O 1.253 1.25 0 O-C-N 120.362 -1.461 . . . . 13.84 111.318 -174.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.33 143.24 26.75 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 107.216 -1.402 . . . . 13.199999999999999 107.216 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 98.8 m -114.01 140.8 48.14 Favored 'General case' 0 CA--C 1.561 1.397 0 O-C-N 120.585 -1.322 . . . . 11.43 110.237 174.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.5 p -113.05 137.39 51.49 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 124.182 0.993 . . . . 14.9 111.727 165.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -114.69 134.22 55.26 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 105.533 -2.025 . . . . 15.09 105.533 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t -126.09 129.79 49.8 Favored 'General case' 0 C--O 1.248 0.986 0 N-CA-C 106.879 -1.526 . . . . 16.920000000000002 106.879 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.53 -155.02 13.49 Favored Glycine 0 CA--C 1.535 1.299 0 O-C-N 119.071 -2.268 . . . . 11.359999999999999 112.059 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -144.37 142.46 30.38 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 116.61 2.078 . . . . 22.870000000000001 116.61 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -84.88 131.04 34.56 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 113.144 -1.844 . . . . 23.48 111.12 174.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.46 121.36 62.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.993 -1.854 . . . . 35.380000000000003 105.993 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.93 -165.69 40.93 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 119.645 -1.909 . . . . 33.32 113.615 -176.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.51 -165.24 14.76 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 114.0 -1.1 . . . . 30.73 110.366 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.1 67.45 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.617 0.599 . . . . 32.18 112.617 -172.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -121.58 70.48 0.94 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 126.051 2.834 . . . . 30.91 114.955 162.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.2 138.63 25.58 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 109.492 -3.504 . . . . 24.170000000000002 112.22 170.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.19 160.19 43.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.905 -1.122 . . . . 37.460000000000001 110.894 171.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.13 121.19 66.94 Favored 'Isoleucine or valine' 0 C--O 1.259 1.603 0 N-CA-C 104.393 -2.447 . . . . 17.73 104.393 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -103.98 132.42 50.25 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 119.507 -0.877 . . . . 34.060000000000002 109.599 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 38.6 p -137.06 155.42 49.68 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-O 121.479 0.657 . . . . 13.869999999999999 112.569 -172.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -114.9 150.09 36.18 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.689 -1.597 . . . . 26.559999999999999 106.689 159.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -133.01 154.29 50.67 Favored 'General case' 0 C--O 1.244 0.769 0 O-C-N 120.511 -1.368 . . . . 15.949999999999999 113.408 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -125.25 121.49 34.21 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.266 -1.334 . . . . 13.890000000000001 108.802 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 5.7 tp -111.29 118.27 35.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.638 -1.289 . . . . 22.09 109.164 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.9 m -112.67 132.96 54.94 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 121.259 -0.901 . . . . 16.91 110.344 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 40.2 m -100.67 143.65 30.59 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.65 1.18 . . . . 22.620000000000001 111.922 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.22 129.46 37.53 Favored Glycine 0 CA--C 1.543 1.809 0 O-C-N 120.183 -1.573 . . . . 21.68 109.399 172.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -129.03 170.69 13.18 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 122.717 3.258 . . . . 22.48 108.643 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 46.8 p -74.17 170.56 15.28 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.593 -1.262 . . . . 33.920000000000002 107.593 163.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -70.07 -28.76 65.69 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 118.255 -2.778 . . . . 43.390000000000001 116.108 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.73 76.24 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 114.607 -1.178 . . . . 45.850000000000001 110.914 170.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' B' ' 121' ' ' LYS . 85.1 m-20 -98.6 8.48 44.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 116.301 1.963 . . . . 45.920000000000002 116.301 -175.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.41 67.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 112.139 0.422 . . . . 28.370000000000001 112.139 -172.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -64.23 -24.72 67.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.663 -3.148 . . . . 53.299999999999997 113.705 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' B' ' 118' ' ' ASN . 13.9 ptmm? -94.98 16.93 14.89 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.538 -1.351 . . . . 25.469999999999999 112.324 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -81.13 -22.79 38.79 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 118.341 -2.725 . . . . 20.530000000000001 116.717 -172.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -126.58 115.77 20.02 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.274 1.852 . . . . 13.75 113.088 -168.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.81 151.57 21.12 Favored 'General case' 0 C--O 1.255 1.361 0 CA-C-N 113.68 -1.6 . . . . 19.27 109.777 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.53 142.67 43.29 Favored 'Isoleucine or valine' 0 C--O 1.254 1.342 0 O-C-N 124.661 1.226 . . . . 13.98 108.589 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -161.81 -165.47 18.76 Favored Glycine 0 C--O 1.251 1.168 0 N-CA-C 110.446 -1.062 . . . . 12.369999999999999 110.446 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -146.7 155.01 42.09 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.51 -1.582 . . . . 24.77 109.091 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -142.82 146.09 33.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.876 1.27 . . . . 29.899999999999999 111.586 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 32.5 m -121.14 131.98 54.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.875 0.87 . . . . 25.32 110.627 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.42 142.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.776 -0.824 . . . . 17.100000000000001 108.776 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 53.9 p -133.36 170.35 15.59 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.272 -1.01 . . . . 23.23 108.272 176.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . 0.753 ' NZ ' ' O ' ' B' ' 331' ' ' HOH . 2.2 mmpt? -87.53 -10.9 50.39 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.584 -0.698 . . . . 36.090000000000003 112.819 -175.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . 0.254 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 103.605 -2.739 . . . . 42.890000000000001 103.605 -169.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.282 . . . . . . . . 39.039999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 54.1 t -173.22 70.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 1 N-CA-C 99.213 -4.365 . . . . 42.43 99.213 . -179.492 -31.627 112.711 112.166 2.023 104.566 172.873 85.808 2 2 . 1 . 001 ecloud build full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -74.49 144.8 81.44 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 106.96 -1.496 . . . . 36.630000000000003 106.96 -172.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 3' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' B' ' 45' ' ' SER . 18.1 Cg_endo -56.54 -12.84 9.25 Favored 'Trans proline' 0 N--CA 1.43 -2.243 0 C-N-CA 121.844 1.696 . . . . 28.960000000000001 114.287 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -73.2 -29.18 62.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 125.032 3.56 . . . . 25.77 112.869 -179.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -110.12 -49.81 3.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 111.319 -2.673 . . . . 45.380000000000003 107.899 -168.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -107.61 127.32 53.54 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 120.07 1.305 . . . . 45.340000000000003 109.015 -178.57 85.808 172.873 112.711 104.566 2.023 112.166 -31.627 -179.492 1 1 . 1 . 001 ecloud build full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.666 0 O-C-N 118.155 -2.841 . . . . 40.289999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' 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 ' 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 ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' 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 ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 274' ' ' 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 ' 293' ' ' 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 ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HOH . . . . . 0.753 ' O ' ' NZ ' ' B' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 ' 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 ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 426' ' ' HOH . . . . . 1.088 ' O ' ' HD2' ' B' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 477' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 485' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 490' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 116.376 -1.773 . . . . 44.71 108.517 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 29.79 -84.06 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.468 2.707 . . . . 49.88 115.626 -172.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.25 82.21 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 117.478 -1.249 . . . . 41.78 109.562 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.27 -30.27 67.31 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 120.074 1.306 . . . . 34.86 114.098 175.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -81.12 -36.05 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-N 118.332 1.066 . . . . 21.55 109.986 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 47.6 m -61.52 130.75 47.48 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 122.216 1.007 . . . . 22.23 109.843 -177.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.06 -162.52 25.63 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 121.422 -0.798 . . . . 18.35 114.023 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -107.83 132.91 52.92 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.264 1.026 . . . . 17.59 109.886 -174.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -125.15 148.54 48.54 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.473 1.109 . . . . 18.65 109.772 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.0 135.85 46.85 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 106.541 -1.651 . . . . 17.08 106.541 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -99.12 -176.84 3.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 117.915 -1.514 . . . . 26.78 112.759 170.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.19 -35.42 77.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 122.251 1.024 . . . . 43.76 113.205 -176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.85 -9.32 58.84 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 117.551 -1.214 . . . . 52.8 109.811 -173.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.39 48.26 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 123.13 2.696 . . . . 43.02 115.968 -173.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 13.6 m -80.45 159.48 25.6 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 123.285 3.542 . . . . 28.66 109.652 163.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.8 m -130.81 138.78 50.06 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 116.909 -1.52 . . . . 32.73 110.373 -177.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -131.54 153.24 50.04 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 122.14 2.245 . . . . 23.67 112.662 158.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.24 126.33 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 0 N-CA-C 103.724 -2.695 . . . . 31.64 103.724 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.25 139.47 45.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 C-N-CA 124.988 1.315 . . . . 19.75 113.52 -174.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 91.4 m -107.93 126.26 52.48 Favored 'General case' 0 C--O 1.251 1.137 0 N-CA-C 108.847 -0.797 . . . . 26.51 108.847 167.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.38 112.68 24.47 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.748 -0.834 . . . . 24.35 108.748 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.99 169.04 47.83 Favored Glycine 0 N--CA 1.448 -0.561 0 O-C-N 120.39 -1.444 . . . . 31.49 109.904 -176.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.58 93.59 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.27 1.582 . . . . 41.12 115.27 -172.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -102.36 46.16 0.94 Allowed 'General case' 0 C--O 1.242 0.663 0 N-CA-C 118.297 2.703 . . . . 34.98 118.297 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.65 -1.72 75.87 Favored Glycine 0 CA--C 1.544 1.906 0 N-CA-C 117.59 1.796 . . . . 24.09 117.59 174.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.98 141.29 30.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.878 1.839 . . . . 17.67 112.424 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.45 HD21 HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -119.74 124.15 45.49 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 105.844 -1.91 . . . . 19.28 105.844 169.601 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.1 p -134.97 150.6 50.39 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-N 122.28 2.309 . . . . 24.81 108.88 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.96 -152.21 18.74 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 120.358 1.435 . . . . 15.2 113.044 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.6 p -142.38 150.29 40.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.25 1.025 . . . . 25.8 110.319 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -115.71 131.11 57.03 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 104.036 -2.579 . . . . 17.45 104.036 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' B' ' 53' ' ' ARG 0.259 43.7 mt-10 -117.62 121.77 41.82 Favored 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 104.201 -2.518 . . . . 57.88 104.201 173.427 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . 0.529 ' HB3' ' O ' ' P' ' 3' ' ' PRO . 0.0 OUTLIER -66.52 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.655 1.217 . . . . 50.03 113.494 178.598 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.89 132.86 45.41 Favored 'General case' 0 N--CA 1.431 -1.41 1 N-CA-C 98.961 -4.459 . . . . 55.98 98.961 179.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -7.78 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.237 -1.347 . . . . 64.49 113.067 -177.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.62 -69.51 1.36 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 109.636 -1.385 . . . . 62.52 109.636 171.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -93.39 136.76 33.35 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 119.023 2.972 . . . . 62.52 119.023 -156.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.41 10.47 0.17 Allowed 'General case' 0 N--CA 1.443 -0.807 1 CA-C-N 108.279 -4.055 . . . . 53.03 117.93 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.67 ' HG2' ' ND2' ' B' ' 81' ' ' ASN . 2.2 tt0 -157.59 71.02 0.61 Allowed 'General case' 0 C--O 1.256 1.428 1 CA-C-O 129.925 4.678 . . . . 55.26 121.242 133.063 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . 0.401 ' HB2' ' OG ' ' B' ' 45' ' ' SER . 29.8 p -91.65 16.38 10.7 Favored 'General case' 0 CA--C 1.553 1.069 1 CA-C-N 102.311 -6.768 . . . . 37.25 107.897 136.979 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.592 ' H ' ' HA ' ' B' ' 51' ' ' GLU . 25.7 mtt180 -90.78 128.72 36.8 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.577 -1.327 . . . . 26.7 114.209 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -133.46 144.51 49.52 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.29 1.836 . . . . 19.25 109.861 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.37 135.26 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 119.882 -1.761 . . . . 16.01 112.128 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.48 145.78 43.95 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 113.308 0.855 . . . . 21.3 113.308 169.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 4.6 t -141.97 142.53 32.98 Favored 'General case' 0 C--O 1.252 1.19 0 C-N-CA 122.822 0.449 . . . . 23.49 110.7 174.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.7 -165.89 24.84 Favored Glycine 0 CA--C 1.543 1.835 0 O-C-N 120.129 -1.607 . . . . 14.42 112.433 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -143.79 149.29 36.82 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 124.719 1.208 . . . . 17.38 109.016 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -131.79 157.26 44.34 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.549 -0.72 . . . . 22.04 109.221 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -112.06 93.02 4.24 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 122.264 1.03 . . . . 23.31 109.856 -175.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 30.3 t -63.72 133.09 52.93 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 112.469 -2.15 . . . . 40.65 114.155 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.0 147.55 17.75 Favored Pre-proline 0 N--CA 1.449 -0.493 0 O-C-N 117.916 -2.99 . . . . 49.94 112.563 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.31 122.97 11.34 Favored 'Trans proline' 0 C--O 1.242 0.723 0 C-N-CA 123.478 2.785 . . . . 50.2 112.861 168.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.44 136.77 52.97 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.204 -1.406 . . . . 52.41 107.204 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.65 14.02 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.119 0.961 . . . . 54.03 111.972 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -140.67 9.2 2.19 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.168 -0.957 . . . . 57.46 112.952 -169.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.73 20.89 79.33 Favored Glycine 0 CA--C 1.536 1.375 0 N-CA-C 117.039 1.575 . . . . 54.75 117.039 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.0 m -57.05 148.11 22.51 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.687 1.365 . . . . 43.73 114.687 169.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.68 163.22 49.96 Favored Glycine 0 CA--C 1.541 1.676 0 O-C-N 124.857 1.348 . . . . 27.11 111.93 166.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 35.9 m -98.68 114.85 27.52 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 117.596 -1.193 . . . . 17.83 108.89 174.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.18 137.49 54.88 Favored 'General case' 0 C--O 1.26 1.621 0 CA-C-N 119.681 1.128 . . . . 15.82 112.657 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.45 HD12 HD21 ' B' ' 39' ' ' LEU . 2.1 pp -150.96 171.1 17.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.217 -0.447 . . . . 19.85 110.624 -179.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -161.13 155.48 26.67 Favored Glycine 0 C--O 1.255 1.464 0 N-CA-C 107.453 -2.259 . . . . 14.41 107.453 174.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 45.5 p90 -151.46 161.85 41.98 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 118.742 1.271 . . . . 14.08 110.182 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 31.8 m -122.24 141.35 51.58 Favored 'General case' 0 C--O 1.256 1.446 0 C-N-CA 126.748 2.019 . . . . 13.52 109.307 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 80.6 t -124.62 122.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 N-CA-C 104.338 -2.467 . . . . 13.52 104.338 165.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.41 131.6 34.25 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 107.992 -1.114 . . . . 13.01 107.992 166.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -89.92 64.1 6.22 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 119.541 -1.974 . . . . 16.47 113.034 -168.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -138.75 128.94 25.56 Favored 'General case' 0 C--O 1.262 1.736 0 CA-C-N 112.693 -2.049 . . . . 35.11 109.829 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ASN . . . . . 0.67 ' ND2' ' HG2' ' B' ' 51' ' ' GLU . 54.1 p30 -146.07 -161.75 1.38 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.495 -1.684 . . . . 19.61 109.168 171.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -75.04 -5.98 47.0 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 116.589 2.07 . . . . 34.55 116.589 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -119.43 -11.22 9.53 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.129 -1.607 . . . . 44.17 111.473 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . 1.088 ' HD2' ' O ' ' B' ' 426' ' ' HOH . 37.5 tpt85 -160.58 139.8 10.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 121.294 1.861 . . . . 28.63 108.108 -167.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -137.16 96.76 3.34 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 123.998 1.856 . . . . 18.99 108.486 171.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.24 9.24 20.85 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 116.48 2.03 . . . . 18.01 116.48 -175.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.48 48.57 22.67 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.52 2.105 . . . . 22.76 113.331 173.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.6 p -162.43 165.1 26.76 Favored 'General case' 0 C--O 1.253 1.25 0 O-C-N 120.362 -1.461 . . . . 13.84 111.318 -174.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.33 143.24 26.75 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 107.216 -1.402 . . . . 13.2 107.216 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 98.8 m -114.01 140.8 48.14 Favored 'General case' 0 CA--C 1.561 1.397 0 O-C-N 120.585 -1.322 . . . . 11.43 110.237 174.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.5 p -113.05 137.39 51.49 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 124.182 0.993 . . . . 14.9 111.727 165.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -114.69 134.22 55.26 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 105.533 -2.025 . . . . 15.09 105.533 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.2 t -126.09 129.79 49.8 Favored 'General case' 0 C--O 1.248 0.986 0 N-CA-C 106.879 -1.526 . . . . 16.92 106.879 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.53 -155.02 13.49 Favored Glycine 0 CA--C 1.535 1.299 0 O-C-N 119.071 -2.268 . . . . 11.36 112.059 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -144.37 142.46 30.38 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 116.61 2.078 . . . . 22.87 116.61 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -84.88 131.04 34.56 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 113.144 -1.844 . . . . 23.48 111.12 174.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 76.8 t -123.46 121.36 62.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.993 -1.854 . . . . 35.38 105.993 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.93 -165.69 40.93 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 119.645 -1.909 . . . . 33.32 113.615 -176.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.51 -165.24 14.76 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 114.0 -1.1 . . . . 30.73 110.366 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.1 67.45 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.617 0.599 . . . . 32.18 112.617 -172.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -121.58 70.48 0.94 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 126.051 2.834 . . . . 30.91 114.955 162.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.2 138.63 25.58 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 109.492 -3.504 . . . . 24.17 112.22 170.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.19 160.19 43.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.905 -1.122 . . . . 37.46 110.894 171.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.13 121.19 66.94 Favored 'Isoleucine or valine' 0 C--O 1.259 1.603 0 N-CA-C 104.393 -2.447 . . . . 17.73 104.393 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -103.98 132.42 50.25 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 119.507 -0.877 . . . . 34.06 109.599 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 38.6 p -137.06 155.42 49.68 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-O 121.479 0.657 . . . . 13.87 112.569 -172.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -114.9 150.09 36.18 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.689 -1.597 . . . . 26.56 106.689 159.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -133.01 154.29 50.67 Favored 'General case' 0 C--O 1.244 0.769 0 O-C-N 120.511 -1.368 . . . . 15.95 113.408 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -125.25 121.49 34.21 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.266 -1.334 . . . . 13.89 108.802 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 5.7 tp -111.29 118.27 35.41 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.638 -1.289 . . . . 22.09 109.164 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.9 m -112.67 132.96 54.94 Favored 'General case' 0 CA--C 1.568 1.659 0 O-C-N 121.259 -0.901 . . . . 16.91 110.344 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 40.2 m -100.67 143.65 30.59 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 124.65 1.18 . . . . 22.62 111.922 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.22 129.46 37.53 Favored Glycine 0 CA--C 1.543 1.809 0 O-C-N 120.183 -1.573 . . . . 21.68 109.399 172.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -129.03 170.69 13.18 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 122.717 3.258 . . . . 22.48 108.643 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 46.8 p -74.17 170.56 15.28 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.593 -1.262 . . . . 33.92 107.593 163.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -70.07 -28.76 65.69 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 118.255 -2.778 . . . . 43.39 116.108 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.73 76.24 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 114.607 -1.178 . . . . 45.85 110.914 170.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' B' ' 121' ' ' LYS . 85.1 m-20 -98.6 8.48 44.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 116.301 1.963 . . . . 45.92 116.301 -175.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.41 67.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 112.139 0.422 . . . . 28.37 112.139 -172.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -64.23 -24.72 67.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.663 -3.148 . . . . 53.3 113.705 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' B' ' 118' ' ' ASN . 13.9 ptmm? -94.98 16.93 14.89 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.538 -1.351 . . . . 25.47 112.324 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -81.13 -22.79 38.79 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 118.341 -2.725 . . . . 20.53 116.717 -172.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.7 m -126.58 115.77 20.02 Favored 'General case' 0 C--O 1.256 1.425 0 CA-C-N 121.274 1.852 . . . . 13.75 113.088 -168.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.81 151.57 21.12 Favored 'General case' 0 C--O 1.255 1.361 0 CA-C-N 113.68 -1.6 . . . . 19.27 109.777 171.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.53 142.67 43.29 Favored 'Isoleucine or valine' 0 C--O 1.254 1.342 0 O-C-N 124.661 1.226 . . . . 13.98 108.589 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -161.81 -165.47 18.76 Favored Glycine 0 C--O 1.251 1.168 0 N-CA-C 110.446 -1.062 . . . . 12.37 110.446 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -146.7 155.01 42.09 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.51 -1.582 . . . . 24.77 109.091 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -142.82 146.09 33.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.876 1.27 . . . . 29.9 111.586 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 32.5 m -121.14 131.98 54.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.875 0.87 . . . . 25.32 110.627 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -112.42 142.05 45.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.776 -0.824 . . . . 17.1 108.776 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 53.9 p -133.36 170.35 15.59 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.272 -1.01 . . . . 23.23 108.272 176.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.753 ' NZ ' ' O ' ' B' ' 331' ' ' HOH . 2.2 mmpt? -87.53 -10.9 50.39 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.584 -0.698 . . . . 36.09 112.819 -175.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . 0.254 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 103.605 -2.739 . . . . 42.89 103.605 -169.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.282 . . . . . . . . 39.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 54.1 t -173.22 70.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 1 N-CA-C 99.213 -4.365 . . . . 42.43 99.213 . -179.492 -31.627 112.711 112.166 2.023 104.566 172.873 85.808 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -74.49 144.8 81.44 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 106.96 -1.496 . . . . 36.63 106.96 -172.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 3' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' B' ' 45' ' ' SER . 18.1 Cg_endo -56.54 -12.84 9.25 Favored 'Trans proline' 0 N--CA 1.43 -2.243 0 C-N-CA 121.844 1.696 . . . . 28.96 114.287 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -73.2 -29.18 62.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 125.032 3.56 . . . . 25.77 112.869 -179.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 5' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -110.12 -49.81 3.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 111.319 -2.673 . . . . 45.38 107.899 -168.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -107.61 127.32 53.54 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 120.07 1.305 . . . . 45.34 109.015 -178.57 85.808 172.873 112.711 104.566 2.023 112.166 -31.627 -179.492 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.666 0 O-C-N 118.155 -2.841 . . . . 40.29 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' 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 ' 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 ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' 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 ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 274' ' ' 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 ' 293' ' ' 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 ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HOH . . . . . 0.753 ' O ' ' NZ ' ' B' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 ' 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 ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 426' ' ' HOH . . . . . 1.088 ' O ' ' HD2' ' B' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 477' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 485' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 490' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_