data_6kk3_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6kk3 _Structure_validation_residue.Date_analyzed 2020-06-12 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 ' A' A ' 50' ' ' ASP . . . . . 0.548 ' CG ' ' O ' ' A' ' 101' ' ' HOH . 2.3 m-20 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 122.32 1.057 . . . . 81.43 110.887 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.3 mtt -90.66 149.1 22.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.172 -0.922 . . . . 47.82 110.044 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -140.66 160.77 39.31 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 114.885 -1.052 . . . . 40.5 108.476 177.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 pt -119.57 151.46 22.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 119.501 -0.88 . . . . 33.67 109.396 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -144.48 136.82 26.43 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 116.028 -0.533 . . . . 73.59 110.136 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' NH2' ' OD1' ' A' ' 58' ' ' ASP . 50.0 ttt-85 -65.13 141.12 58.8 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 114.91 -1.041 . . . . 41.54 109.304 -171.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.23 -6.53 7.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.451 1.278 . . . . 30.3 114.451 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.98 169.37 26.31 Favored Glycine 0 C--O 1.242 0.611 0 C-N-CA 119.334 -1.412 . . . . 32.16 112.066 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . 0.493 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 77.5 m-20 -76.28 155.98 33.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 113.993 -1.104 . . . . 39.1 108.792 167.24 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.1 mt -97.73 108.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.488 -0.56 . . . . 36.89 109.488 172.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.4 p -153.79 148.77 26.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.759 -0.83 . . . . 37.04 108.759 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -68.59 141.81 55.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.266 -0.879 . . . . 42.84 108.803 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -111.43 115.75 29.76 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.573 0.349 . . . . 75.14 110.062 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 1.3 mppt? -63.64 -27.59 69.33 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.915 0.709 . . . . 63.44 112.915 -177.364 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . . . -97.3 22.14 9.09 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.839 0.745 . . . . 58.02 111.987 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.34 139.91 58.53 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.767 -0.773 . . . . 50.12 110.799 -172.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' A' ' 66' ' ' GLU . 3.0 pm0 -61.29 146.98 46.11 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.616 -0.72 . . . . 97.02 109.878 163.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -121.33 130.72 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.599 -0.889 . . . . 43.49 108.599 -174.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -158.79 178.56 9.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.328 -0.949 . . . . 42.21 109.349 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.96 143.15 7.69 Favored Glycine 0 C--N 1.339 0.746 0 CA-C-N 116.062 -0.517 . . . . 36.86 112.497 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -93.7 -165.23 1.29 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.79 -1.189 . . . . 43.92 107.79 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -136.43 69.81 60.93 Favored Pre-proline 0 CA--C 1.512 -0.516 0 O-C-N 121.588 -0.695 . . . . 36.52 110.274 -174.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.72 148.12 58.19 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 CA-C-N 118.493 0.498 . . . . 35.89 111.291 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -103.15 116.49 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.151 -1.055 . . . . 81.96 108.151 166.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.1 mt -129.5 136.87 50.4 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 109.533 -0.543 . . . . 40.77 109.533 -169.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.51 122.47 32.02 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.364 0.415 . . . . 76.34 109.953 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -135.85 159.76 39.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 CA-C-O 122.178 0.989 . . . . 40.54 110.388 -172.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.93 146.28 50.69 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.041 -1.436 . . . . 43.38 107.658 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.7 tp -114.73 120.3 39.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.858 -1.905 . . . . 37.88 105.858 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -91.79 176.41 6.54 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 118.083 -1.447 . . . . 43.87 110.869 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.1 -19.41 65.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.19 -0.913 . . . . 73.46 112.141 -175.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -76.43 -0.46 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.144 1.164 . . . . 43.38 114.144 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.92 80.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 118.362 -1.875 . . . . 31.5 114.847 -174.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -100.65 131.38 46.58 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.434 1.617 . . . . 48.43 109.37 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -81.18 144.33 31.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.615 0.721 . . . . 35.9 112.258 168.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.47 146.14 49.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.604 -0.725 . . . . 47.53 109.443 169.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.7 mt -68.31 141.4 55.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.857 -0.61 . . . . 50.7 111.404 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 117.701 2.482 . . . . 60.47 117.701 179.451 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 120.911 0.386 . . . . 60.9 110.581 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 16.9 p -123.34 7.46 9.04 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 123.262 0.625 . . . . 55.5 111.631 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -54.19 134.34 44.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 117.871 0.305 . . . . 49.09 110.335 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . 0.781 ' OD1' ' O ' ' B' ' 301' ' ' HOH . 30.5 m-20 -49.71 143.7 6.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.25 0.548 . . . . 47.32 110.938 171.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.64 -170.61 30.49 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.589 -1.404 . . . . 30.13 109.589 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.65 142.91 16.42 Favored 'Isoleucine or valine' 0 C--O 1.259 1.588 0 N-CA-C 106.794 -1.558 . . . . 26.33 106.794 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -130.85 141.54 50.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.248 1.419 . . . . 33.02 109.751 -173.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -79.82 143.65 34.2 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.969 -0.292 . . . . 28.98 110.421 167.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -106.36 116.51 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.691 -1.225 . . . . 26.46 107.691 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mmm -115.37 152.04 33.55 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 124.118 0.967 . . . . 33.49 109.557 -169.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -130.69 156.64 44.58 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 122.011 0.91 . . . . 45.26 110.294 168.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -110.69 2.19 18.37 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 115.156 1.539 . . . . 79.22 115.156 169.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . . . -65.54 -14.64 61.49 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 113.644 0.979 . . . . 77.66 113.644 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.0 mt -109.62 -162.81 0.82 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.01 0.823 . . . . 70.92 109.046 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp -75.65 133.91 40.73 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.448 -0.204 . . . . 59.74 110.448 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.71 -161.92 50.99 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 117.678 -2.201 . . . . 52.06 111.791 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -97.71 136.38 38.15 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 106.911 -1.514 . . . . 64.2 106.911 165.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -125.12 126.36 45.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.196 -0.668 . . . . 43.33 109.196 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -82.88 115.5 21.78 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.017 -1.073 . . . . 33.36 108.568 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 m -94.9 -11.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 113.319 0.859 . . . . 32.23 113.319 178.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.94 -161.7 31.25 Favored Glycine 0 CA--C 1.512 -0.117 0 N-CA-C 110.289 -1.125 . . . . 25.5 110.289 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -146.52 157.2 11.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 105.839 -1.911 . . . . 22.81 105.839 -168.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.05 -179.87 35.13 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 117.992 -2.052 . . . . 24.17 111.32 170.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.9 128.71 76.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 N-CA-C 109.073 -0.714 . . . . 23.32 109.073 -170.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 40.5 tpp -100.25 124.42 45.67 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.587 -1.264 . . . . 31.06 107.587 172.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -153.23 132.94 13.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.125 -0.695 . . . . 42.39 109.125 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 54.55 37.69 28.43 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.695 0.622 . . . . 49.82 112.579 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.58 13.29 74.44 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 118.356 -1.246 . . . . 31.08 115.634 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.2 t -119.31 136.98 54.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 CA-C-N 119.474 1.637 . . . . 26.52 107.556 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -99.77 131.06 45.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.3 -0.63 . . . . 28.32 109.3 175.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -119.67 124.31 45.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.602 -1.258 . . . . 23.56 107.602 -170.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 13.0 t -146.52 -173.39 4.19 Favored 'General case' 0 C--O 1.251 1.145 0 C-N-CA 117.247 -1.781 . . . . 24.15 108.237 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.2 mtp -89.92 147.18 23.89 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.239 1.019 . . . . 32.01 110.847 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -60.64 -40.53 92.31 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.772 -1.103 . . . . 45.7 111.108 -175.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -68.99 -17.36 63.91 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.804 -1.559 . . . . 27.65 111.992 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.54 -50.78 69.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.341 -0.849 . . . . 28.87 111.309 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -106.41 -17.14 14.36 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.325 1.232 . . . . 34.3 114.325 -173.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 52.37 25.66 3.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.484 0.584 . . . . 61.22 111.504 -169.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.06 4.15 87.05 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-O 118.837 -0.979 . . . . 41.8 115.276 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.3 159.35 34.75 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.071 1.436 . . . . 38.73 111.44 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 155.92 35.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.977 -1.011 . . . . 38.62 110.809 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.3 mt -126.18 146.39 49.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.011 -0.995 . . . . 40.2 109.194 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -98.9 142.51 30.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.901 -0.778 . . . . 72.75 108.901 171.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -130.51 98.33 4.64 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.883 -1.155 . . . . 53.33 107.883 171.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.66 -132.06 52.36 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 118.116 -1.992 . . . . 65.89 108.702 -169.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . . . -80.75 -13.26 59.14 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.398 0.888 . . . . 73.29 113.398 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.87 159.06 24.4 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 122.554 1.086 . . . . 63.37 113.255 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -114.18 142.54 46.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.449 -1.03 . . . . 70.5 110.235 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.58 119.55 39.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.691 -0.855 . . . . 45.56 108.691 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -99.98 144.49 28.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 118.302 -1.359 . . . . 71.15 110.265 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -65.31 153.74 76.85 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 CA-C-N 120.856 1.341 . . . . 35.9 109.8 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -123.57 -40.63 2.33 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 115.148 -0.933 . . . . 28.66 111.402 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -148.35 143.06 26.61 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.75 -1.204 . . . . 26.62 107.75 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.2 169.35 36.74 Favored Glycine 0 C--O 1.253 1.282 0 C-N-CA 118.974 -1.584 . . . . 25.41 110.033 168.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -157.29 110.63 2.55 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.736 -1.209 . . . . 35.78 107.736 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.19 -33.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 119.634 -0.826 . . . . 27.59 111.06 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -70.87 -39.68 72.74 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.262 -1.375 . . . . 40.34 110.746 -173.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -74.27 -19.34 60.53 Favored 'General case' 0 C--O 1.258 1.542 0 N-CA-C 111.763 0.282 . . . . 34.91 111.763 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 41.4 t0 62.4 43.36 8.14 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.017 0.527 . . . . 26.0 111.422 -172.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -132.59 157.27 45.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.996 -0.44 . . . . 21.64 110.52 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -156.47 145.64 11.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.714 -1.217 . . . . 22.57 107.714 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.1 p -127.87 150.83 49.68 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 123.472 0.709 . . . . 22.24 110.109 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -124.04 140.87 52.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.718 -1.216 . . . . 29.0 107.718 -175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' CYS . . . . . 0.703 ' SG ' ' O ' ' B' ' 349' ' ' HOH . 16.0 m 69.64 -0.01 2.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 127.075 2.15 . . . . 34.4 113.715 177.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 175.04 179.73 45.79 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 108.182 -1.967 . . . . 26.5 108.182 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.8 159.21 45.68 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 120.971 1.114 . . . . 26.26 113.391 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -52.58 123.6 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.28 -1.327 . . . . 26.23 110.615 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -102.5 -14.93 16.62 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.63 1.344 . . . . 34.65 114.63 -174.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.42 118.82 30.87 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.475 1.034 . . . . 31.52 108.454 -165.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -131.43 0.58 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 117.53 -1.668 . . . . 58.23 115.055 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.94 158.01 17.2 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.12 -1.432 . . . . 31.88 110.095 172.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 148.68 43.7 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.816 -0.629 . . . . 28.92 109.333 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -52.1 138.23 25.95 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.758 -0.656 . . . . 30.25 109.724 172.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' ASP . . . . . 0.408 ' OD2' ' OG ' ' B' ' 93' ' ' SER . 45.2 p30 -78.87 -3.21 43.55 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.35 0.87 . . . . 38.35 113.35 177.684 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.07 -1.91 83.08 Favored Glycine 0 N--CA 1.445 -0.705 0 O-C-N 120.366 -1.459 . . . . 36.24 114.717 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 44.0 mt -131.16 -32.31 1.6 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.634 1.217 . . . . 40.74 114.227 -175.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . 0.408 ' OG ' ' OD2' ' B' ' 90' ' ' ASP . 1.3 m -104.06 161.44 13.99 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 122.3 1.048 . . . . 35.59 112.315 -167.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' B' ' 110' ' ' GLN . 41.7 mt-10 -66.65 161.31 23.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.031 -1.44 . . . . 42.53 110.438 172.496 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 m -133.85 173.28 14.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 107.065 -1.457 . . . . 28.05 107.065 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -124.49 131.38 53.49 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 119.396 -0.922 . . . . 28.54 109.604 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.2 tp -82.79 123.14 29.06 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.862 -1.162 . . . . 23.64 107.862 164.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.78 90.24 6.47 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 105.282 -2.118 . . . . 29.32 105.282 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.5 133.41 36.49 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.998 -0.742 . . . . 24.68 108.998 -173.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 41.8 t -120.93 83.52 37.37 Favored Pre-proline 0 C--O 1.246 0.896 0 N-CA-C 106.586 -1.635 . . . . 25.14 106.586 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -76.33 156.73 37.23 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 120.998 1.132 . . . . 24.98 110.297 -173.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -58.52 132.61 49.41 Favored 'Trans proline' 0 N--CA 1.48 0.692 0 CA-C-N 119.715 0.934 . . . . 28.01 110.962 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.38 6.57 65.93 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.27 0.868 . . . . 27.27 115.27 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -130.11 157.48 42.31 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.749 1.275 . . . . 35.02 109.873 -175.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . . . -68.19 148.27 51.09 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.184 0.516 . . . . 35.48 110.663 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.17 138.05 39.2 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.89 -1.124 . . . . 29.62 109.607 171.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.5 134.21 26.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.403 -0.962 . . . . 67.78 108.403 -179.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.23 138.02 33.18 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.492 0.495 . . . . 34.66 111.16 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -131.77 122.46 49.74 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 107.101 -1.444 . . . . 44.72 107.101 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' GLN . . . . . 0.451 ' NE2' ' OE2' ' B' ' 94' ' ' GLU . 42.7 tt0 -94.69 144.73 25.38 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.203 0.525 . . . . 29.59 111.507 -177.249 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 6.0 t -160.57 160.05 31.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.486 -1.302 . . . . 27.05 107.486 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 tp -96.61 119.93 62.99 Favored Pre-proline 0 C--O 1.243 0.72 0 C-N-CA 119.963 -0.695 . . . . 24.15 109.548 169.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.48 147.24 94.95 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 CA-C-N 121.477 1.563 . . . . 24.61 111.74 -175.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.6 -160.63 33.58 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 108.81 -1.716 . . . . 26.2 108.81 156.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 5.2 mm -134.27 130.73 54.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.584 1.154 . . . . 32.98 110.83 -172.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -88.69 115.45 26.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.048 -1.464 . . . . 31.89 107.048 159.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -93.17 116.66 29.24 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.8 -0.815 . . . . 76.93 108.8 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -123.9 167.76 13.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.75 0.786 . . . . 47.55 110.754 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -23.47 65.8 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-N 114.81 -1.087 . . . . 76.07 111.139 -177.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -104.56 8.12 35.34 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 113.083 0.771 . . . . 77.99 113.083 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.78 -175.88 20.53 Favored Glycine 0 N--CA 1.438 -1.173 0 N-CA-C 109.741 -1.344 . . . . 52.3 109.741 175.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -109.79 152.61 25.48 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.625 -0.338 . . . . 51.65 111.068 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.59 129.99 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.18 2.192 . . . . 35.18 106.641 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.09 148.66 23.94 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 119.522 -1.323 . . . . 29.85 111.002 170.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -140.41 152.28 45.59 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.829 -0.804 . . . . 26.88 108.829 171.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 24.9 m -121.07 132.63 70.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.88 0 N-CA-C 109.489 -0.56 . . . . 27.33 109.489 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -93.16 71.59 4.56 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 122.432 1.111 . . . . 27.28 108.76 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 77.9 mt -132.49 136.81 46.92 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.301 -1.0 . . . . 26.54 108.301 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -119.41 112.84 19.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.605 -0.887 . . . . 37.37 108.605 -169.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -131.31 166.42 28.01 Favored Pre-proline 0 C--O 1.247 0.926 0 N-CA-C 108.551 -0.907 . . . . 40.79 108.551 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.09 158.41 30.2 Favored 'Trans proline' 0 C--O 1.237 0.451 0 CA-C-O 122.656 1.023 . . . . 29.04 112.39 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.89 84.9 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 113.89 -1.504 . . . . 28.01 111.273 -171.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.97 0.14 3.65 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 118.555 -1.136 . . . . 27.62 115.428 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -83.75 -8.75 59.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 118.811 1.305 . . . . 28.94 111.347 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 10.8 m -46.97 134.45 10.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.983 0.913 . . . . 23.32 112.088 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.59 -4.21 79.3 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 115.338 0.895 . . . . 21.76 115.338 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 70.6 m -65.59 140.82 97.65 Favored Pre-proline 0 C--O 1.216 -0.703 0 CA-C-N 119.365 1.583 . . . . 22.95 109.77 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.93 148.1 24.73 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 CA-C-N 119.684 0.923 . . . . 22.27 113.371 -176.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 10.9 mt -103.82 132.82 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 106.224 -1.769 . . . . 24.15 106.224 168.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 mt -118.25 153.5 33.8 Favored 'General case' 0 C--O 1.25 1.091 0 N-CA-C 111.971 0.36 . . . . 34.63 111.971 -173.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -92.65 -177.84 4.69 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 117.863 -1.535 . . . . 31.87 109.616 168.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . . . -70.38 -9.81 57.31 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.237 -0.892 . . . . 37.59 111.754 -175.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' CYS . . . . . 0.801 ' SG ' ' O ' ' B' ' 360' ' ' HOH . 83.1 m -92.8 3.81 54.98 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.954 -0.698 . . . . 44.56 112.86 172.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.36 6.55 88.89 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.325 -0.94 . . . . 35.45 114.191 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -81.65 143.41 31.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 118.939 1.37 . . . . 69.86 110.113 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.16 115.32 23.54 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 N-CA-C 108.739 -0.837 . . . . 23.45 108.739 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 37.2 pt -97.01 0.29 10.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 119.236 -0.411 . . . . 22.68 112.007 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 160.54 -178.92 36.36 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.481 -1.048 . . . . 22.12 110.481 172.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.4 mt -117.01 146.13 43.25 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 114.804 -0.698 . . . . 21.93 110.48 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -88.37 141.04 28.86 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 114.768 -1.105 . . . . 24.36 112.46 -178.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 130.7 3.95 4.43 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 118.338 -1.887 . . . . 26.88 117.687 164.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -117.35 111.63 19.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.993 -1.484 . . . . 26.32 106.993 171.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -158.38 -144.69 4.02 Favored Glycine 0 C--O 1.247 0.957 0 C-N-CA 119.83 -1.176 . . . . 29.08 113.57 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 18.6 m -143.02 158.53 17.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.244 -1.021 . . . . 33.65 108.244 -171.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.23 125.79 61.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.825 -1.546 . . . . 46.29 106.825 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' ILE . . . . . . . . . . . . . 33.6 pt -89.45 -174.69 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 122.821 0.448 . . . . 60.24 110.118 -171.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' LYS . . . . . 0.676 ' O ' ' O ' ' B' ' 302' ' ' HOH . . . -52.89 -60.03 3.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.226 0.536 . . . . 80.46 112.403 -174.147 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -60.62 -13.16 12.74 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.041 0.756 . . . . 93.36 113.041 -175.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.38 2.87 44.32 Favored Glycine 0 C--O 1.238 0.392 0 CA-C-O 118.392 -1.227 . . . . 71.71 115.787 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 54.1 p -101.86 -169.97 1.76 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.916 1.858 . . . . 55.16 111.877 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -124.17 145.34 49.37 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.47 -0.769 . . . . 38.39 110.467 -152.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 41.1 t -136.03 119.78 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 107.739 -1.208 . . . . 27.49 107.739 173.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' SER . . . . . . . . . . . . . 7.3 t -98.72 138.59 35.67 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.256 -0.646 . . . . 22.25 109.256 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.76 150.44 41.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.579 -0.897 . . . . 22.65 108.579 166.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' ILE . . . . . . . . . . . . . 81.2 mt -86.13 98.06 6.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 105.946 -1.872 . . . . 21.58 105.946 162.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 99.8 m -92.3 118.15 30.61 Favored 'General case' 0 C--O 1.243 0.713 0 O-C-N 121.929 -0.482 . . . . 21.25 110.437 -171.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -123.61 147.62 47.18 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.631 -0.507 . . . . 25.72 109.631 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -93.27 -173.27 40.32 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-O 122.03 0.794 . . . . 40.1 111.325 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . . . -110.5 123.9 50.79 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.174 -0.676 . . . . 64.32 109.174 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 115.329 1.603 . . . . 63.09 115.329 178.419 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' DUU . . . . . 0.594 ' N47' ' O ' ' B' ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . 0.781 ' O ' ' OD1' ' B' ' 20' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . 0.676 ' O ' ' O ' ' B' ' 157' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . 0.594 ' O ' ' N47' ' B' ' 201' ' ' DUU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 349' ' ' HOH . . . . . 0.703 ' O ' ' SG ' ' B' ' 80' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 355' ' ' HOH . . . . . 0.67 ' O ' ' SG ' ' B' ' 143' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 357' ' ' 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 ' 360' ' ' HOH . . . . . 0.801 ' O ' ' SG ' ' B' ' 143' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.548 ' CG ' ' O ' ' A' ' 101' ' ' HOH . 2.3 m-20 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 122.32 1.057 . . . . 81.43 110.887 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.3 mtt -90.66 149.1 22.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.172 -0.922 . . . . 47.82 110.044 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -140.66 160.77 39.31 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 114.885 -1.052 . . . . 40.5 108.476 177.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 pt -119.57 151.46 22.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 119.501 -0.88 . . . . 33.67 109.396 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -144.48 136.82 26.43 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 116.028 -0.533 . . . . 73.59 110.136 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -65.13 141.12 58.8 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 114.91 -1.041 . . . . 41.54 109.304 -171.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.23 -6.53 7.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.451 1.278 . . . . 30.3 114.451 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.98 169.37 26.31 Favored Glycine 0 C--O 1.242 0.611 0 C-N-CA 119.334 -1.412 . . . . 32.16 112.066 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -76.28 155.98 33.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 113.993 -1.104 . . . . 39.1 108.792 167.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.1 mt -97.73 108.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.488 -0.56 . . . . 36.89 109.488 172.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.4 p -153.79 148.77 26.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.759 -0.83 . . . . 37.04 108.759 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -68.59 141.81 55.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.266 -0.879 . . . . 42.84 108.803 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -111.43 115.75 29.76 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.573 0.349 . . . . 75.14 110.062 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.579 ' H ' ' HD3' ' A' ' 63' ' ' LYS . 1.3 mppt? -63.64 -27.59 69.33 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.915 0.709 . . . . 63.44 112.915 -177.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . . . -97.3 22.14 9.09 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.839 0.745 . . . . 58.02 111.987 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.34 139.91 58.53 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.767 -0.773 . . . . 50.12 110.799 -172.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 102' ' ' HOH . 3.0 pm0 -61.29 146.98 46.11 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.616 -0.72 . . . . 97.02 109.878 163.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -121.33 130.72 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.599 -0.889 . . . . 43.49 108.599 -174.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -158.79 178.56 9.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.328 -0.949 . . . . 42.21 109.349 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.96 143.15 7.69 Favored Glycine 0 C--N 1.339 0.746 0 CA-C-N 116.062 -0.517 . . . . 36.86 112.497 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -93.7 -165.23 1.29 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.79 -1.189 . . . . 43.92 107.79 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -136.43 69.81 60.93 Favored Pre-proline 0 CA--C 1.512 -0.516 0 O-C-N 121.588 -0.695 . . . . 36.52 110.274 -174.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.72 148.12 58.19 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 CA-C-N 118.493 0.498 . . . . 35.89 111.291 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -103.15 116.49 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.151 -1.055 . . . . 81.96 108.151 166.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.1 mt -129.5 136.87 50.4 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 109.533 -0.543 . . . . 40.77 109.533 -169.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.51 122.47 32.02 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.364 0.415 . . . . 76.34 109.953 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -135.85 159.76 39.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 CA-C-O 122.178 0.989 . . . . 40.54 110.388 -172.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.93 146.28 50.69 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.041 -1.436 . . . . 43.38 107.658 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.7 tp -114.73 120.3 39.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.858 -1.905 . . . . 37.88 105.858 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -91.79 176.41 6.54 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 118.083 -1.447 . . . . 43.87 110.869 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.1 -19.41 65.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.19 -0.913 . . . . 73.46 112.141 -175.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -76.43 -0.46 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.144 1.164 . . . . 43.38 114.144 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.92 80.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 118.362 -1.875 . . . . 31.5 114.847 -174.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -100.65 131.38 46.58 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.434 1.617 . . . . 48.43 109.37 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -81.18 144.33 31.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.615 0.721 . . . . 35.9 112.258 168.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.47 146.14 49.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.604 -0.725 . . . . 47.53 109.443 169.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.7 mt -68.31 141.4 55.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.857 -0.61 . . . . 50.7 111.404 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 117.701 2.482 . . . . 60.47 117.701 179.451 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 120.911 0.386 . . . . 60.9 110.581 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 16.9 p -123.34 7.46 9.04 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 123.262 0.625 . . . . 55.5 111.631 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -54.19 134.34 44.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 117.871 0.305 . . . . 49.09 110.335 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . 0.781 ' OD1' ' O ' ' B' ' 301' ' ' HOH . 30.5 m-20 -49.71 143.7 6.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.25 0.548 . . . . 47.32 110.938 171.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.64 -170.61 30.49 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.589 -1.404 . . . . 30.13 109.589 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.65 142.91 16.42 Favored 'Isoleucine or valine' 0 C--O 1.259 1.588 0 N-CA-C 106.794 -1.558 . . . . 26.33 106.794 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -130.85 141.54 50.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.248 1.419 . . . . 33.02 109.751 -173.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -79.82 143.65 34.2 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.969 -0.292 . . . . 28.98 110.421 167.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -106.36 116.51 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.691 -1.225 . . . . 26.46 107.691 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mmm -115.37 152.04 33.55 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 124.118 0.967 . . . . 33.49 109.557 -169.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -130.69 156.64 44.58 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 122.011 0.91 . . . . 45.26 110.294 168.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -110.69 2.19 18.37 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 115.156 1.539 . . . . 79.22 115.156 169.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . . . -65.54 -14.64 61.49 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 113.644 0.979 . . . . 77.66 113.644 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.0 mt -109.62 -162.81 0.82 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.01 0.823 . . . . 70.92 109.046 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp -75.65 133.91 40.73 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.448 -0.204 . . . . 59.74 110.448 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.71 -161.92 50.99 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 117.678 -2.201 . . . . 52.06 111.791 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -97.71 136.38 38.15 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 106.911 -1.514 . . . . 64.2 106.911 165.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -125.12 126.36 45.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.196 -0.668 . . . . 43.33 109.196 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -82.88 115.5 21.78 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.017 -1.073 . . . . 33.36 108.568 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 m -94.9 -11.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 113.319 0.859 . . . . 32.23 113.319 178.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.94 -161.7 31.25 Favored Glycine 0 CA--C 1.512 -0.117 0 N-CA-C 110.289 -1.125 . . . . 25.5 110.289 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -146.52 157.2 11.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 105.839 -1.911 . . . . 22.81 105.839 -168.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.05 -179.87 35.13 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 117.992 -2.052 . . . . 24.17 111.32 170.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.9 128.71 76.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 N-CA-C 109.073 -0.714 . . . . 23.32 109.073 -170.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 40.5 tpp -100.25 124.42 45.67 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.587 -1.264 . . . . 31.06 107.587 172.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -153.23 132.94 13.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.125 -0.695 . . . . 42.39 109.125 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 54.55 37.69 28.43 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.695 0.622 . . . . 49.82 112.579 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.58 13.29 74.44 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 118.356 -1.246 . . . . 31.08 115.634 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.2 t -119.31 136.98 54.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 CA-C-N 119.474 1.637 . . . . 26.52 107.556 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -99.77 131.06 45.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.3 -0.63 . . . . 28.32 109.3 175.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -119.67 124.31 45.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.602 -1.258 . . . . 23.56 107.602 -170.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 13.0 t -146.52 -173.39 4.19 Favored 'General case' 0 C--O 1.251 1.145 0 C-N-CA 117.247 -1.781 . . . . 24.15 108.237 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.2 mtp -89.92 147.18 23.89 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.239 1.019 . . . . 32.01 110.847 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -60.64 -40.53 92.31 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.772 -1.103 . . . . 45.7 111.108 -175.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -68.99 -17.36 63.91 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.804 -1.559 . . . . 27.65 111.992 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.54 -50.78 69.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.341 -0.849 . . . . 28.87 111.309 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -106.41 -17.14 14.36 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.325 1.232 . . . . 34.3 114.325 -173.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 52.37 25.66 3.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.484 0.584 . . . . 61.22 111.504 -169.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.06 4.15 87.05 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-O 118.837 -0.979 . . . . 41.8 115.276 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.3 159.35 34.75 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.071 1.436 . . . . 38.73 111.44 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 155.92 35.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.977 -1.011 . . . . 38.62 110.809 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.3 mt -126.18 146.39 49.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.011 -0.995 . . . . 40.2 109.194 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -98.9 142.51 30.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.901 -0.778 . . . . 72.75 108.901 171.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -130.51 98.33 4.64 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.883 -1.155 . . . . 53.33 107.883 171.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.66 -132.06 52.36 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 118.116 -1.992 . . . . 65.89 108.702 -169.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . . . -80.75 -13.26 59.14 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.398 0.888 . . . . 73.29 113.398 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.87 159.06 24.4 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 122.554 1.086 . . . . 63.37 113.255 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -114.18 142.54 46.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.449 -1.03 . . . . 70.5 110.235 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.58 119.55 39.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.691 -0.855 . . . . 45.56 108.691 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -99.98 144.49 28.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 118.302 -1.359 . . . . 71.15 110.265 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -65.31 153.74 76.85 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 CA-C-N 120.856 1.341 . . . . 35.9 109.8 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -123.57 -40.63 2.33 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 115.148 -0.933 . . . . 28.66 111.402 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -148.35 143.06 26.61 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.75 -1.204 . . . . 26.62 107.75 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.2 169.35 36.74 Favored Glycine 0 C--O 1.253 1.282 0 C-N-CA 118.974 -1.584 . . . . 25.41 110.033 168.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -157.29 110.63 2.55 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.736 -1.209 . . . . 35.78 107.736 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.19 -33.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 119.634 -0.826 . . . . 27.59 111.06 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -70.87 -39.68 72.74 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.262 -1.375 . . . . 40.34 110.746 -173.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -74.27 -19.34 60.53 Favored 'General case' 0 C--O 1.258 1.542 0 N-CA-C 111.763 0.282 . . . . 34.91 111.763 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 41.4 t0 62.4 43.36 8.14 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.017 0.527 . . . . 26.0 111.422 -172.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -132.59 157.27 45.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.996 -0.44 . . . . 21.64 110.52 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -156.47 145.64 11.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.714 -1.217 . . . . 22.57 107.714 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.1 p -127.87 150.83 49.68 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 123.472 0.709 . . . . 22.24 110.109 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -124.04 140.87 52.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.718 -1.216 . . . . 29.0 107.718 -175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.0 m 69.64 -0.01 2.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 127.075 2.15 . . . . 34.4 113.715 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 175.04 179.73 45.79 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 108.182 -1.967 . . . . 26.5 108.182 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.8 159.21 45.68 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 120.971 1.114 . . . . 26.26 113.391 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -52.58 123.6 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.28 -1.327 . . . . 26.23 110.615 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -102.5 -14.93 16.62 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.63 1.344 . . . . 34.65 114.63 -174.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.42 118.82 30.87 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.475 1.034 . . . . 31.52 108.454 -165.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -131.43 0.58 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 117.53 -1.668 . . . . 58.23 115.055 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.94 158.01 17.2 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.12 -1.432 . . . . 31.88 110.095 172.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 148.68 43.7 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.816 -0.629 . . . . 28.92 109.333 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -52.1 138.23 25.95 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.758 -0.656 . . . . 30.25 109.724 172.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -78.87 -3.21 43.55 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.35 0.87 . . . . 38.35 113.35 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.07 -1.91 83.08 Favored Glycine 0 N--CA 1.445 -0.705 0 O-C-N 120.366 -1.459 . . . . 36.24 114.717 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 44.0 mt -131.16 -32.31 1.6 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.634 1.217 . . . . 40.74 114.227 -175.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -104.06 161.44 13.99 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 122.3 1.048 . . . . 35.59 112.315 -167.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.65 161.31 23.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.031 -1.44 . . . . 42.53 110.438 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 m -133.85 173.28 14.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 107.065 -1.457 . . . . 28.05 107.065 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -124.49 131.38 53.49 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 119.396 -0.922 . . . . 28.54 109.604 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.2 tp -82.79 123.14 29.06 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.862 -1.162 . . . . 23.64 107.862 164.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . 0.417 HD11 ' HB1' ' B' ' 106' ' ' ALA . 8.1 tp -93.78 90.24 6.47 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 105.282 -2.118 . . . . 29.32 105.282 173.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.5 133.41 36.49 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.998 -0.742 . . . . 24.68 108.998 -173.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 41.8 t -120.93 83.52 37.37 Favored Pre-proline 0 C--O 1.246 0.896 0 N-CA-C 106.586 -1.635 . . . . 25.14 106.586 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -76.33 156.73 37.23 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 120.998 1.132 . . . . 24.98 110.297 -173.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -58.52 132.61 49.41 Favored 'Trans proline' 0 N--CA 1.48 0.692 0 CA-C-N 119.715 0.934 . . . . 28.01 110.962 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.38 6.57 65.93 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.27 0.868 . . . . 27.27 115.27 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -130.11 157.48 42.31 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.749 1.275 . . . . 35.02 109.873 -175.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . . . -68.19 148.27 51.09 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.184 0.516 . . . . 35.48 110.663 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ALA . . . . . 0.417 ' HB1' HD11 ' B' ' 98' ' ' LEU . . . -54.17 138.05 39.2 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.89 -1.124 . . . . 29.62 109.607 171.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.5 134.21 26.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.403 -0.962 . . . . 67.78 108.403 -179.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.23 138.02 33.18 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.492 0.495 . . . . 34.66 111.16 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -131.77 122.46 49.74 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 107.101 -1.444 . . . . 44.72 107.101 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -94.69 144.73 25.38 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.203 0.525 . . . . 29.59 111.507 -177.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 6.0 t -160.57 160.05 31.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.486 -1.302 . . . . 27.05 107.486 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 tp -96.61 119.93 62.99 Favored Pre-proline 0 C--O 1.243 0.72 0 C-N-CA 119.963 -0.695 . . . . 24.15 109.548 169.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.48 147.24 94.95 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 CA-C-N 121.477 1.563 . . . . 24.61 111.74 -175.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.6 -160.63 33.58 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 108.81 -1.716 . . . . 26.2 108.81 156.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 5.2 mm -134.27 130.73 54.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.584 1.154 . . . . 32.98 110.83 -172.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -88.69 115.45 26.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.048 -1.464 . . . . 31.89 107.048 159.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -93.17 116.66 29.24 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.8 -0.815 . . . . 76.93 108.8 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -123.9 167.76 13.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.75 0.786 . . . . 47.55 110.754 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LYS . . . . . 0.681 ' HE2' ' OD1' ' B' ' 120' ' ' ASP . 0.9 OUTLIER -61.38 -23.47 65.8 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-N 114.81 -1.087 . . . . 76.07 111.139 -177.154 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 120' ' ' ASP . . . . . 0.681 ' OD1' ' HE2' ' B' ' 119' ' ' LYS . 67.7 m-20 -104.56 8.12 35.34 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 113.083 0.771 . . . . 77.99 113.083 -177.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.78 -175.88 20.53 Favored Glycine 0 N--CA 1.438 -1.173 0 N-CA-C 109.741 -1.344 . . . . 52.3 109.741 175.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -109.79 152.61 25.48 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.625 -0.338 . . . . 51.65 111.068 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.59 129.99 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.18 2.192 . . . . 35.18 106.641 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.09 148.66 23.94 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 119.522 -1.323 . . . . 29.85 111.002 170.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -140.41 152.28 45.59 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.829 -0.804 . . . . 26.88 108.829 171.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 24.9 m -121.07 132.63 70.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.88 0 N-CA-C 109.489 -0.56 . . . . 27.33 109.489 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -93.16 71.59 4.56 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 122.432 1.111 . . . . 27.28 108.76 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 77.9 mt -132.49 136.81 46.92 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.301 -1.0 . . . . 26.54 108.301 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -119.41 112.84 19.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.605 -0.887 . . . . 37.37 108.605 -169.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -131.31 166.42 28.01 Favored Pre-proline 0 C--O 1.247 0.926 0 N-CA-C 108.551 -0.907 . . . . 40.79 108.551 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.09 158.41 30.2 Favored 'Trans proline' 0 C--O 1.237 0.451 0 CA-C-O 122.656 1.023 . . . . 29.04 112.39 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.89 84.9 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 113.89 -1.504 . . . . 28.01 111.273 -171.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.97 0.14 3.65 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 118.555 -1.136 . . . . 27.62 115.428 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -83.75 -8.75 59.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 118.811 1.305 . . . . 28.94 111.347 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 10.8 m -46.97 134.45 10.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.983 0.913 . . . . 23.32 112.088 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.59 -4.21 79.3 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 115.338 0.895 . . . . 21.76 115.338 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 70.6 m -65.59 140.82 97.65 Favored Pre-proline 0 C--O 1.216 -0.703 0 CA-C-N 119.365 1.583 . . . . 22.95 109.77 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.93 148.1 24.73 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 CA-C-N 119.684 0.923 . . . . 22.27 113.371 -176.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ILE . . . . . 0.5 HD13 HG12 ' B' ' 165' ' ' ILE . 10.9 mt -103.82 132.82 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 106.224 -1.769 . . . . 24.15 106.224 168.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 mt -118.25 153.5 33.8 Favored 'General case' 0 C--O 1.25 1.091 0 N-CA-C 111.971 0.36 . . . . 34.63 111.971 -173.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -92.65 -177.84 4.69 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 117.863 -1.535 . . . . 31.87 109.616 168.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . . . -70.38 -9.81 57.31 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.237 -0.892 . . . . 37.59 111.754 -175.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' CYS . . . . . 0.801 ' SG ' ' O ' ' B' ' 360' ' ' HOH . 83.1 m -92.8 3.81 54.98 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.954 -0.698 . . . . 44.56 112.86 172.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.36 6.55 88.89 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.325 -0.94 . . . . 35.45 114.191 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -81.65 143.41 31.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 118.939 1.37 . . . . 69.86 110.113 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.16 115.32 23.54 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 N-CA-C 108.739 -0.837 . . . . 23.45 108.739 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 37.2 pt -97.01 0.29 10.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 119.236 -0.411 . . . . 22.68 112.007 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 160.54 -178.92 36.36 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.481 -1.048 . . . . 22.12 110.481 172.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.4 mt -117.01 146.13 43.25 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 114.804 -0.698 . . . . 21.93 110.48 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -88.37 141.04 28.86 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 114.768 -1.105 . . . . 24.36 112.46 -178.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 130.7 3.95 4.43 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 118.338 -1.887 . . . . 26.88 117.687 164.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -117.35 111.63 19.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.993 -1.484 . . . . 26.32 106.993 171.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -158.38 -144.69 4.02 Favored Glycine 0 C--O 1.247 0.957 0 C-N-CA 119.83 -1.176 . . . . 29.08 113.57 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 18.6 m -143.02 158.53 17.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.244 -1.021 . . . . 33.65 108.244 -171.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.23 125.79 61.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.825 -1.546 . . . . 46.29 106.825 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' ILE . . . . . 0.539 HG12 ' O ' ' B' ' 160' ' ' SER . 33.6 pt -89.45 -174.69 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 122.821 0.448 . . . . 60.24 110.118 -171.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 157' ' ' LYS . . . . . 0.676 ' O ' ' O ' ' B' ' 302' ' ' HOH . . . -52.89 -60.03 3.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.226 0.536 . . . . 80.46 112.403 -174.147 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -60.62 -13.16 12.74 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.041 0.756 . . . . 93.36 113.041 -175.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.38 2.87 44.32 Favored Glycine 0 C--O 1.238 0.392 0 CA-C-O 118.392 -1.227 . . . . 71.71 115.787 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' SER . . . . . 0.539 ' O ' HG12 ' B' ' 156' ' ' ILE . 54.1 p -101.86 -169.97 1.76 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.916 1.858 . . . . 55.16 111.877 175.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 161' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -124.17 145.34 49.37 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.47 -0.769 . . . . 38.39 110.467 -152.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 41.1 t -136.03 119.78 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 107.739 -1.208 . . . . 27.49 107.739 173.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' SER . . . . . . . . . . . . . 7.3 t -98.72 138.59 35.67 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.256 -0.646 . . . . 22.25 109.256 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.76 150.44 41.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.579 -0.897 . . . . 22.65 108.579 166.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 165' ' ' ILE . . . . . 0.5 HG12 HD13 ' B' ' 139' ' ' ILE . 81.2 mt -86.13 98.06 6.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 105.946 -1.872 . . . . 21.58 105.946 162.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 99.8 m -92.3 118.15 30.61 Favored 'General case' 0 C--O 1.243 0.713 0 O-C-N 121.929 -0.482 . . . . 21.25 110.437 -171.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 167' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -123.61 147.62 47.18 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.631 -0.507 . . . . 25.72 109.631 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -93.27 -173.27 40.32 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-O 122.03 0.794 . . . . 40.1 111.325 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . . . -110.5 123.9 50.79 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.174 -0.676 . . . . 64.32 109.174 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 115.329 1.603 . . . . 63.09 115.329 178.419 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' DUU . . . . . 0.594 ' N47' ' O ' ' B' ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.464 ' O ' ' HG3' ' A' ' 66' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . 0.781 ' O ' ' OD1' ' B' ' 20' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . 0.676 ' O ' ' O ' ' B' ' 157' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . 0.594 ' O ' ' N47' ' B' ' 201' ' ' DUU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 355' ' ' HOH . . . . . 0.67 ' O ' ' SG ' ' B' ' 143' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 357' ' ' 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 ' 360' ' ' HOH . . . . . 0.801 ' O ' ' SG ' ' B' ' 143' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.548 ' CG ' ' O ' ' A' ' 101' ' ' HOH . 2.3 m-20 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 122.32 1.057 . . . . 81.43 110.887 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.3 mtt -90.66 149.1 22.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.172 -0.922 . . . . 47.82 110.044 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -140.66 160.77 39.31 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 114.885 -1.052 . . . . 40.5 108.476 177.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 pt -119.57 151.46 22.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 119.501 -0.88 . . . . 33.67 109.396 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -144.48 136.82 26.43 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 116.028 -0.533 . . . . 73.59 110.136 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -65.13 141.12 58.8 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 114.91 -1.041 . . . . 41.54 109.304 -171.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.23 -6.53 7.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.451 1.278 . . . . 30.3 114.451 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.98 169.37 26.31 Favored Glycine 0 C--O 1.242 0.611 0 C-N-CA 119.334 -1.412 . . . . 32.16 112.066 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -76.28 155.98 33.84 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 113.993 -1.104 . . . . 39.1 108.792 167.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.1 mt -97.73 108.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.488 -0.56 . . . . 36.89 109.488 172.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.4 p -153.79 148.77 26.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.759 -0.83 . . . . 37.04 108.759 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 -68.59 141.81 55.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.266 -0.879 . . . . 42.84 108.803 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -111.43 115.75 29.76 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.573 0.349 . . . . 75.14 110.062 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.579 ' H ' ' HD3' ' A' ' 63' ' ' LYS . 1.3 mppt? -63.64 -27.59 69.33 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.915 0.709 . . . . 63.44 112.915 -177.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . . . -97.3 22.14 9.09 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.839 0.745 . . . . 58.02 111.987 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.34 139.91 58.53 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.767 -0.773 . . . . 50.12 110.799 -172.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 102' ' ' HOH . 3.0 pm0 -61.29 146.98 46.11 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.616 -0.72 . . . . 97.02 109.878 163.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -121.33 130.72 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.599 -0.889 . . . . 43.49 108.599 -174.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 t -158.79 178.56 9.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.328 -0.949 . . . . 42.21 109.349 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.96 143.15 7.69 Favored Glycine 0 C--N 1.339 0.746 0 CA-C-N 116.062 -0.517 . . . . 36.86 112.497 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -93.7 -165.23 1.29 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.79 -1.189 . . . . 43.92 107.79 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -136.43 69.81 60.93 Favored Pre-proline 0 CA--C 1.512 -0.516 0 O-C-N 121.588 -0.695 . . . . 36.52 110.274 -174.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.72 148.12 58.19 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 CA-C-N 118.493 0.498 . . . . 35.89 111.291 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -103.15 116.49 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.151 -1.055 . . . . 81.96 108.151 166.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.1 mt -129.5 136.87 50.4 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 109.533 -0.543 . . . . 40.77 109.533 -169.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.51 122.47 32.02 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.364 0.415 . . . . 76.34 109.953 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 m -135.85 159.76 39.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 CA-C-O 122.178 0.989 . . . . 40.54 110.388 -172.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.93 146.28 50.69 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.041 -1.436 . . . . 43.38 107.658 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.7 tp -114.73 120.3 39.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.858 -1.905 . . . . 37.88 105.858 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -91.79 176.41 6.54 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 118.083 -1.447 . . . . 43.87 110.869 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -65.1 -19.41 65.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.19 -0.913 . . . . 73.46 112.141 -175.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -76.43 -0.46 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.144 1.164 . . . . 43.38 114.144 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.92 80.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 118.362 -1.875 . . . . 31.5 114.847 -174.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -100.65 131.38 46.58 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.434 1.617 . . . . 48.43 109.37 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -81.18 144.33 31.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.615 0.721 . . . . 35.9 112.258 168.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.47 146.14 49.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.604 -0.725 . . . . 47.53 109.443 169.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.7 mt -68.31 141.4 55.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.857 -0.61 . . . . 50.7 111.404 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 117.701 2.482 . . . . 60.47 117.701 179.451 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 120.911 0.386 . . . . 60.9 110.581 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 16.9 p -123.34 7.46 9.04 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 123.262 0.625 . . . . 55.5 111.631 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -54.19 134.34 44.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 117.871 0.305 . . . . 49.09 110.335 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.781 ' OD1' ' O ' ' B' ' 301' ' ' HOH . 30.5 m-20 -49.71 143.7 6.99 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.25 0.548 . . . . 47.32 110.938 171.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.64 -170.61 30.49 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 109.589 -1.404 . . . . 30.13 109.589 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.65 142.91 16.42 Favored 'Isoleucine or valine' 0 C--O 1.259 1.588 0 N-CA-C 106.794 -1.558 . . . . 26.33 106.794 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -130.85 141.54 50.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 125.248 1.419 . . . . 33.02 109.751 -173.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -79.82 143.65 34.2 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.969 -0.292 . . . . 28.98 110.421 167.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -106.36 116.51 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.691 -1.225 . . . . 26.46 107.691 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mmm -115.37 152.04 33.55 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 124.118 0.967 . . . . 33.49 109.557 -169.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -130.69 156.64 44.58 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 122.011 0.91 . . . . 45.26 110.294 168.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -110.69 2.19 18.37 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 115.156 1.539 . . . . 79.22 115.156 169.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . . . -65.54 -14.64 61.49 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 113.644 0.979 . . . . 77.66 113.644 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.0 mt -109.62 -162.81 0.82 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.01 0.823 . . . . 70.92 109.046 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp -75.65 133.91 40.73 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.448 -0.204 . . . . 59.74 110.448 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.71 -161.92 50.99 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 117.678 -2.201 . . . . 52.06 111.791 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -97.71 136.38 38.15 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 106.911 -1.514 . . . . 64.2 106.911 165.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -125.12 126.36 45.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.196 -0.668 . . . . 43.33 109.196 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -82.88 115.5 21.78 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.017 -1.073 . . . . 33.36 108.568 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 m -94.9 -11.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 113.319 0.859 . . . . 32.23 113.319 178.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.94 -161.7 31.25 Favored Glycine 0 CA--C 1.512 -0.117 0 N-CA-C 110.289 -1.125 . . . . 25.5 110.289 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -146.52 157.2 11.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 105.839 -1.911 . . . . 22.81 105.839 -168.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.05 -179.87 35.13 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 117.992 -2.052 . . . . 24.17 111.32 170.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.9 128.71 76.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.961 0 N-CA-C 109.073 -0.714 . . . . 23.32 109.073 -170.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 40.5 tpp -100.25 124.42 45.67 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.587 -1.264 . . . . 31.06 107.587 172.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -153.23 132.94 13.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.125 -0.695 . . . . 42.39 109.125 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 54.55 37.69 28.43 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.695 0.622 . . . . 49.82 112.579 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.58 13.29 74.44 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 118.356 -1.246 . . . . 31.08 115.634 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.2 t -119.31 136.98 54.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 CA-C-N 119.474 1.637 . . . . 26.52 107.556 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -99.77 131.06 45.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.3 -0.63 . . . . 28.32 109.3 175.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -119.67 124.31 45.96 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.602 -1.258 . . . . 23.56 107.602 -170.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 13.0 t -146.52 -173.39 4.19 Favored 'General case' 0 C--O 1.251 1.145 0 C-N-CA 117.247 -1.781 . . . . 24.15 108.237 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.2 mtp -89.92 147.18 23.89 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 122.239 1.019 . . . . 32.01 110.847 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -60.64 -40.53 92.31 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.772 -1.103 . . . . 45.7 111.108 -175.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -68.99 -17.36 63.91 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.804 -1.559 . . . . 27.65 111.992 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.54 -50.78 69.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.341 -0.849 . . . . 28.87 111.309 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 50.5 p -106.41 -17.14 14.36 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.325 1.232 . . . . 34.3 114.325 -173.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 52.37 25.66 3.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 118.484 0.584 . . . . 61.22 111.504 -169.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.06 4.15 87.05 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-O 118.837 -0.979 . . . . 41.8 115.276 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.3 159.35 34.75 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.071 1.436 . . . . 38.73 111.44 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 155.92 35.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.977 -1.011 . . . . 38.62 110.809 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.3 mt -126.18 146.39 49.99 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.011 -0.995 . . . . 40.2 109.194 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -98.9 142.51 30.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.901 -0.778 . . . . 72.75 108.901 171.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -130.51 98.33 4.64 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 107.883 -1.155 . . . . 53.33 107.883 171.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.66 -132.06 52.36 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 118.116 -1.992 . . . . 65.89 108.702 -169.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . . . -80.75 -13.26 59.14 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.398 0.888 . . . . 73.29 113.398 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.87 159.06 24.4 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-O 122.554 1.086 . . . . 63.37 113.255 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -114.18 142.54 46.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.449 -1.03 . . . . 70.5 110.235 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.58 119.55 39.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.691 -0.855 . . . . 45.56 108.691 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -99.98 144.49 28.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 118.302 -1.359 . . . . 71.15 110.265 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -65.31 153.74 76.85 Favored 'Trans proline' 0 C--N 1.323 -0.812 0 CA-C-N 120.856 1.341 . . . . 35.9 109.8 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -123.57 -40.63 2.33 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 115.148 -0.933 . . . . 28.66 111.402 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -148.35 143.06 26.61 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.75 -1.204 . . . . 26.62 107.75 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.2 169.35 36.74 Favored Glycine 0 C--O 1.253 1.282 0 C-N-CA 118.974 -1.584 . . . . 25.41 110.033 168.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -157.29 110.63 2.55 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.736 -1.209 . . . . 35.78 107.736 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.19 -33.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 119.634 -0.826 . . . . 27.59 111.06 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -70.87 -39.68 72.74 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.262 -1.375 . . . . 40.34 110.746 -173.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -74.27 -19.34 60.53 Favored 'General case' 0 C--O 1.258 1.542 0 N-CA-C 111.763 0.282 . . . . 34.91 111.763 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 41.4 t0 62.4 43.36 8.14 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.017 0.527 . . . . 26.0 111.422 -172.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -132.59 157.27 45.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.996 -0.44 . . . . 21.64 110.52 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -156.47 145.64 11.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.714 -1.217 . . . . 22.57 107.714 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.1 p -127.87 150.83 49.68 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 123.472 0.709 . . . . 22.24 110.109 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -124.04 140.87 52.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.718 -1.216 . . . . 29.0 107.718 -175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.0 m 69.64 -0.01 2.8 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 127.075 2.15 . . . . 34.4 113.715 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 175.04 179.73 45.79 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 108.182 -1.967 . . . . 26.5 108.182 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.8 159.21 45.68 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 120.971 1.114 . . . . 26.26 113.391 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TRP . . . . . . . . . . . . . 53.8 t-105 -52.58 123.6 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.28 -1.327 . . . . 26.23 110.615 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -102.5 -14.93 16.62 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.63 1.344 . . . . 34.65 114.63 -174.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.42 118.82 30.87 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.475 1.034 . . . . 31.52 108.454 -165.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -131.43 0.58 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 117.53 -1.668 . . . . 58.23 115.055 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.94 158.01 17.2 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 118.12 -1.432 . . . . 31.88 110.095 172.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 148.68 43.7 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.816 -0.629 . . . . 28.92 109.333 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -52.1 138.23 25.95 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 115.758 -0.656 . . . . 30.25 109.724 172.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -78.87 -3.21 43.55 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.35 0.87 . . . . 38.35 113.35 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.07 -1.91 83.08 Favored Glycine 0 N--CA 1.445 -0.705 0 O-C-N 120.366 -1.459 . . . . 36.24 114.717 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 44.0 mt -131.16 -32.31 1.6 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.634 1.217 . . . . 40.74 114.227 -175.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -104.06 161.44 13.99 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 122.3 1.048 . . . . 35.59 112.315 -167.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.65 161.31 23.59 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.031 -1.44 . . . . 42.53 110.438 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 m -133.85 173.28 14.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 107.065 -1.457 . . . . 28.05 107.065 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -124.49 131.38 53.49 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 119.396 -0.922 . . . . 28.54 109.604 171.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.2 tp -82.79 123.14 29.06 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.862 -1.162 . . . . 23.64 107.862 164.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.417 HD11 ' HB1' ' B' ' 106' ' ' ALA . 8.1 tp -93.78 90.24 6.47 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 105.282 -2.118 . . . . 29.32 105.282 173.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.5 133.41 36.49 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 108.998 -0.742 . . . . 24.68 108.998 -173.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 41.8 t -120.93 83.52 37.37 Favored Pre-proline 0 C--O 1.246 0.896 0 N-CA-C 106.586 -1.635 . . . . 25.14 106.586 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -76.33 156.73 37.23 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 120.998 1.132 . . . . 24.98 110.297 -173.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -58.52 132.61 49.41 Favored 'Trans proline' 0 N--CA 1.48 0.692 0 CA-C-N 119.715 0.934 . . . . 28.01 110.962 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.38 6.57 65.93 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.27 0.868 . . . . 27.27 115.27 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -130.11 157.48 42.31 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.749 1.275 . . . . 35.02 109.873 -175.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . . . -68.19 148.27 51.09 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.184 0.516 . . . . 35.48 110.663 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ALA . . . . . 0.417 ' HB1' HD11 ' B' ' 98' ' ' LEU . . . -54.17 138.05 39.2 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 118.89 -1.124 . . . . 29.62 109.607 171.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.5 134.21 26.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.403 -0.962 . . . . 67.78 108.403 -179.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.23 138.02 33.18 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.492 0.495 . . . . 34.66 111.16 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 mm -131.77 122.46 49.74 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 107.101 -1.444 . . . . 44.72 107.101 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -94.69 144.73 25.38 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.203 0.525 . . . . 29.59 111.507 -177.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 6.0 t -160.57 160.05 31.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.486 -1.302 . . . . 27.05 107.486 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 tp -96.61 119.93 62.99 Favored Pre-proline 0 C--O 1.243 0.72 0 C-N-CA 119.963 -0.695 . . . . 24.15 109.548 169.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.48 147.24 94.95 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 CA-C-N 121.477 1.563 . . . . 24.61 111.74 -175.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.6 -160.63 33.58 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 108.81 -1.716 . . . . 26.2 108.81 156.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 5.2 mm -134.27 130.73 54.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 124.584 1.154 . . . . 32.98 110.83 -172.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -88.69 115.45 26.23 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.048 -1.464 . . . . 31.89 107.048 159.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -93.17 116.66 29.24 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.8 -0.815 . . . . 76.93 108.8 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 1.5 p -123.9 167.76 13.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.75 0.786 . . . . 47.55 110.754 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.681 ' HE2' ' OD1' ' B' ' 120' ' ' ASP . 0.9 OUTLIER -61.38 -23.47 65.8 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-N 114.81 -1.087 . . . . 76.07 111.139 -177.154 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' ASP . . . . . 0.681 ' OD1' ' HE2' ' B' ' 119' ' ' LYS . 67.7 m-20 -104.56 8.12 35.34 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 113.083 0.771 . . . . 77.99 113.083 -177.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.78 -175.88 20.53 Favored Glycine 0 N--CA 1.438 -1.173 0 N-CA-C 109.741 -1.344 . . . . 52.3 109.741 175.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -109.79 152.61 25.48 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.625 -0.338 . . . . 51.65 111.068 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.59 129.99 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.18 2.192 . . . . 35.18 106.641 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.09 148.66 23.94 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 119.522 -1.323 . . . . 29.85 111.002 170.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -140.41 152.28 45.59 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 108.829 -0.804 . . . . 26.88 108.829 171.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 24.9 m -121.07 132.63 70.03 Favored 'Isoleucine or valine' 0 C--O 1.246 0.88 0 N-CA-C 109.489 -0.56 . . . . 27.33 109.489 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -93.16 71.59 4.56 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 122.432 1.111 . . . . 27.28 108.76 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 77.9 mt -132.49 136.81 46.92 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.301 -1.0 . . . . 26.54 108.301 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -119.41 112.84 19.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.605 -0.887 . . . . 37.37 108.605 -169.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -131.31 166.42 28.01 Favored Pre-proline 0 C--O 1.247 0.926 0 N-CA-C 108.551 -0.907 . . . . 40.79 108.551 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.09 158.41 30.2 Favored 'Trans proline' 0 C--O 1.237 0.451 0 CA-C-O 122.656 1.023 . . . . 29.04 112.39 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.89 84.9 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 113.89 -1.504 . . . . 28.01 111.273 -171.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.97 0.14 3.65 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 118.555 -1.136 . . . . 27.62 115.428 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -83.75 -8.75 59.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 118.811 1.305 . . . . 28.94 111.347 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 10.8 m -46.97 134.45 10.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.983 0.913 . . . . 23.32 112.088 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.59 -4.21 79.3 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 115.338 0.895 . . . . 21.76 115.338 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 70.6 m -65.59 140.82 97.65 Favored Pre-proline 0 C--O 1.216 -0.703 0 CA-C-N 119.365 1.583 . . . . 22.95 109.77 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -77.93 148.1 24.73 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 CA-C-N 119.684 0.923 . . . . 22.27 113.371 -176.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.5 HD13 HG12 ' B' ' 165' ' ' ILE . 10.9 mt -103.82 132.82 49.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 106.224 -1.769 . . . . 24.15 106.224 168.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 mt -118.25 153.5 33.8 Favored 'General case' 0 C--O 1.25 1.091 0 N-CA-C 111.971 0.36 . . . . 34.63 111.971 -173.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -92.65 -177.84 4.69 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 117.863 -1.535 . . . . 31.87 109.616 168.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . . . -70.38 -9.81 57.31 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.237 -0.892 . . . . 37.59 111.754 -175.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' CYS . . . . . 0.801 ' SG ' ' O ' ' B' ' 360' ' ' HOH . 83.1 m -92.8 3.81 54.98 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 119.954 -0.698 . . . . 44.56 112.86 172.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.36 6.55 88.89 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.325 -0.94 . . . . 35.45 114.191 -176.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -81.65 143.41 31.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 118.939 1.37 . . . . 69.86 110.113 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.16 115.32 23.54 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 N-CA-C 108.739 -0.837 . . . . 23.45 108.739 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 37.2 pt -97.01 0.29 10.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 119.236 -0.411 . . . . 22.68 112.007 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 160.54 -178.92 36.36 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.481 -1.048 . . . . 22.12 110.481 172.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.4 mt -117.01 146.13 43.25 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 114.804 -0.698 . . . . 21.93 110.48 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -88.37 141.04 28.86 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 114.768 -1.105 . . . . 24.36 112.46 -178.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 130.7 3.95 4.43 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 118.338 -1.887 . . . . 26.88 117.687 164.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -117.35 111.63 19.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.993 -1.484 . . . . 26.32 106.993 171.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -158.38 -144.69 4.02 Favored Glycine 0 C--O 1.247 0.957 0 C-N-CA 119.83 -1.176 . . . . 29.08 113.57 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 18.6 m -143.02 158.53 17.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.244 -1.021 . . . . 33.65 108.244 -171.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.23 125.79 61.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.825 -1.546 . . . . 46.29 106.825 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' ILE . . . . . 0.539 HG12 ' O ' ' B' ' 160' ' ' SER . 33.6 pt -89.45 -174.69 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 122.821 0.448 . . . . 60.24 110.118 -171.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' LYS . . . . . 0.676 ' O ' ' O ' ' B' ' 302' ' ' HOH . . . -52.89 -60.03 3.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.226 0.536 . . . . 80.46 112.403 -174.147 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -60.62 -13.16 12.74 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.041 0.756 . . . . 93.36 113.041 -175.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.38 2.87 44.32 Favored Glycine 0 C--O 1.238 0.392 0 CA-C-O 118.392 -1.227 . . . . 71.71 115.787 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' SER . . . . . 0.539 ' O ' HG12 ' B' ' 156' ' ' ILE . 54.1 p -101.86 -169.97 1.76 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.916 1.858 . . . . 55.16 111.877 175.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -124.17 145.34 49.37 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.47 -0.769 . . . . 38.39 110.467 -152.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 41.1 t -136.03 119.78 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 107.739 -1.208 . . . . 27.49 107.739 173.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' SER . . . . . . . . . . . . . 7.3 t -98.72 138.59 35.67 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.256 -0.646 . . . . 22.25 109.256 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.76 150.44 41.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.579 -0.897 . . . . 22.65 108.579 166.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' ILE . . . . . 0.5 HG12 HD13 ' B' ' 139' ' ' ILE . 81.2 mt -86.13 98.06 6.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 105.946 -1.872 . . . . 21.58 105.946 162.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 99.8 m -92.3 118.15 30.61 Favored 'General case' 0 C--O 1.243 0.713 0 O-C-N 121.929 -0.482 . . . . 21.25 110.437 -171.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -123.61 147.62 47.18 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.631 -0.507 . . . . 25.72 109.631 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -93.27 -173.27 40.32 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-O 122.03 0.794 . . . . 40.1 111.325 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . . . -110.5 123.9 50.79 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.174 -0.676 . . . . 64.32 109.174 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 115.329 1.603 . . . . 63.09 115.329 178.419 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' DUU . . . . . 0.594 ' N47' ' O ' ' B' ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.464 ' O ' ' HG3' ' A' ' 66' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . 0.781 ' O ' ' OD1' ' B' ' 20' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . 0.676 ' O ' ' O ' ' B' ' 157' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . 0.594 ' O ' ' N47' ' B' ' 201' ' ' DUU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 355' ' ' HOH . . . . . 0.67 ' O ' ' SG ' ' B' ' 143' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 357' ' ' 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 ' 360' ' ' HOH . . . . . 0.801 ' O ' ' SG ' ' B' ' 143' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_