data_1dr7_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1dr7 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.802 0.811 . . . . 78.41 110.02 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . . . -68.68 -55.69 10.6 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-O 121.598 0.713 . . . . 69.81 111.795 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.275 60.8 p -159.03 151.57 21.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.663 -0.699 . . . . 58.65 110.151 -172.833 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' CG ' ' CD1' ' A' ' 129' ' ' ILE 0.265 52.0 mt -105.83 165.92 10.85 Favored 'General case' 0 N--CA 1.508 2.44 0 C-N-CA 117.195 -1.802 . . . . 41.88 106.957 176.967 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.27 140.08 49.74 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 104.029 -2.582 . . . . 35.59 104.029 173.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.262 10.0 m -128.3 141.11 51.54 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 128.199 3.437 . . . . 32.62 105.559 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -132.67 131.94 59.77 Favored 'Isoleucine or valine' 0 C--O 1.245 0.82 0 O-C-N 128.375 3.547 . . . . 28.83 107.012 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -146.46 158.05 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 128.84 3.837 . . . . 23.62 109.087 174.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.15 128.78 56.59 Favored 'General case' 0 C--N 1.276 -2.595 0 C-N-CA 126.075 1.75 . . . . 31.33 107.643 168.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.4 m -130.94 146.79 33.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 120.315 1.416 . . . . 31.08 109.721 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' CZ3' ' A' ' 24' ' ' TRP 0.609 27.0 p -92.9 -171.7 2.78 Favored 'General case' 0 C--O 1.273 2.316 0 N-CA-C 104.558 -2.386 . . . . 40.0 104.558 176.452 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . 0.578 0.0 OUTLIER -56.29 -40.81 74.89 Favored 'General case' 0 CA--C 1.476 -1.875 0 N-CA-C 121.01 3.707 . . . . 73.48 121.01 -174.994 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 14' ' ' MET . . . -84.18 7.5 18.79 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 117.531 -3.231 . . . . 50.29 111.794 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' MET . . . . . 0.41 ' CB ' ' O ' ' A' ' 13' ' ' ASN . 50.1 mmm 78.69 19.09 0.9 Allowed 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.076 1.307 . . . . 57.06 108.987 -176.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.46 146.47 30.23 Favored Glycine 0 N--CA 1.504 3.199 0 N-CA-C 106.867 -2.493 . . . . 26.45 106.867 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -126.85 -12.25 4.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 113.489 0.922 . . . . 24.35 113.489 -177.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 169.25 34.89 Favored Glycine 0 C--O 1.248 0.992 0 CA-C-O 124.514 2.174 . . . . 27.28 113.118 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.94 121.13 3.52 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 110.902 -2.649 . . . . 57.17 108.173 179.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 55.21 45.13 26.5 Favored 'General case' 0 C--O 1.264 1.851 0 O-C-N 127.003 2.689 . . . . 60.55 112.23 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.68 1.93 79.16 Favored Glycine 0 C--O 1.26 1.78 0 C-N-CA 117.895 -2.098 . . . . 42.46 112.38 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.275 15.6 t30 -133.29 -169.51 2.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 118.709 1.255 . . . . 73.64 110.537 177.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 mt -81.32 154.22 71.77 Favored Pre-proline 0 N--CA 1.484 1.265 0 O-C-N 126.505 2.378 . . . . 38.47 108.398 174.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.43 -23.86 23.22 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 CA-C-O 113.995 -2.585 . . . . 32.16 113.091 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . 0.415 ' CZ3' ' SG ' ' A' ' 11' ' ' CYS . 7.4 p90 -114.47 156.84 44.03 Favored Pre-proline 0 N--CA 1.497 1.892 0 CA-C-N 120.966 1.712 . . . . 34.18 109.723 -177.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -67.24 170.59 13.0 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 N-CA-C 103.139 -3.447 . . . . 33.05 103.139 174.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.77 135.36 32.64 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 126.422 2.801 . . . . 37.01 113.848 -170.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.0 mt -110.57 113.44 26.07 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 129.918 3.287 . . . . 42.68 104.517 170.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . . . -53.55 -58.14 8.22 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 125.082 2.372 . . . . 77.22 112.218 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS 0.457 69.4 m-80 -59.13 -31.86 69.33 Favored 'General case' 0 C--O 1.269 2.11 0 N-CA-C 115.52 1.674 . . . . 68.17 115.52 -177.594 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -69.54 -46.47 66.4 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-O 123.105 1.431 . . . . 73.93 107.988 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -52.88 -60.5 3.2 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 112.379 -2.191 . . . . 79.7 114.214 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' NZ ' ' OD1' ' A' ' 29' ' ' ASN . 12.3 mttp -54.5 -32.51 58.11 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 123.39 0.676 . . . . 69.13 109.551 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -61.54 -38.37 87.17 Favored 'General case' 0 C--O 1.258 1.506 0 CA-C-O 122.603 1.192 . . . . 46.16 110.199 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -71.15 -52.72 17.62 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.319 -1.764 . . . . 41.31 111.266 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' NH1' ' A' ' 70' ' ' ARG . 4.3 mm-40 -54.9 -52.65 62.22 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 127.09 2.744 . . . . 60.86 109.767 176.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.359 . . -58.14 -53.17 61.24 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 114.23 -1.35 . . . . 61.48 111.981 -179.946 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 71.9 mmm -63.48 -37.98 89.37 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 120.232 -1.542 . . . . 44.76 113.836 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . 0.321 71.8 p -80.49 -38.59 29.58 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 114.011 1.115 . . . . 36.4 114.011 -175.746 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.43 -36.35 60.78 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 129.558 3.143 . . . . 49.51 116.31 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . 0.491 ' O ' ' CE ' ' A' ' 111' ' ' MET . 38.5 m -70.36 115.07 9.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 117.249 -1.358 . . . . 45.13 114.456 -175.112 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -100.97 145.67 28.38 Favored 'General case' 0 C--O 1.258 1.502 0 C-N-CA 126.972 2.109 . . . . 57.53 111.639 174.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . 0.511 ' C ' ' O ' ' A' ' 653' ' ' HOH . 30.4 m80 -104.58 37.7 2.06 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 124.289 0.993 . . . . 81.58 111.038 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' N ' ' O ' ' A' ' 653' ' ' HOH . 38.6 t -159.88 132.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 122.147 0.975 . . . . 61.74 108.787 -177.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.522 14.1 pt-20 -67.17 134.96 52.75 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-O 126.146 2.879 . . . . 101.97 113.416 -178.459 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.98 15.64 69.63 Favored Glycine 0 C--O 1.248 0.972 0 CA-C-N 112.062 -2.335 . . . . 71.8 110.581 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.349 66.9 mttt -107.73 156.38 19.16 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 108.179 -1.045 . . . . 65.04 108.179 172.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 110' ' ' ASP . 0.1 OUTLIER -130.01 155.42 46.14 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 116.673 -1.632 . . . . 63.0 106.919 -178.166 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -96.42 155.94 16.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 128.299 3.499 . . . . 41.1 104.569 -179.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.73 136.26 52.53 Favored 'General case' 0 C--O 1.257 1.462 1 O-C-N 130.433 4.833 . . . . 34.92 109.322 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 m -116.51 138.66 46.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 O-C-N 125.949 2.031 . . . . 30.58 106.28 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -118.48 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 1 O-C-N 130.539 4.9 . . . . 32.99 109.946 177.44 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 ptp -153.71 159.65 42.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 125.437 1.71 . . . . 32.86 108.599 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.78 175.5 53.51 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 107.636 -2.185 . . . . 30.53 107.636 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -69.35 -44.15 72.19 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 126.814 2.126 . . . . 33.47 112.032 -175.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -62.8 -42.58 99.77 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 114.118 -1.401 . . . . 61.94 108.676 -176.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.9 m -60.81 -47.17 87.57 Favored 'General case' 0 C--O 1.269 2.081 0 O-C-N 120.861 -1.149 . . . . 33.6 114.067 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -52.83 -45.97 67.55 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.328 -0.857 . . . . 33.14 111.107 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -73.68 -18.68 60.99 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 124.715 1.259 . . . . 36.97 111.81 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 p -70.34 -25.46 63.3 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 113.922 -1.49 . . . . 43.41 107.721 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -73.81 132.59 80.29 Favored Pre-proline 0 C--O 1.248 1.025 0 O-C-N 124.616 1.198 . . . . 38.34 110.209 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -56.25 130.08 38.25 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 O-C-N 126.444 2.812 . . . . 38.05 105.635 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -47.17 -49.31 22.81 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 127.669 2.388 . . . . 81.46 114.445 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -67.55 -11.91 59.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.141 -1.845 . . . . 48.1 109.373 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . 0.309 79.5 m-20 -101.02 14.53 31.67 Favored 'General case' 0 C--O 1.265 1.875 0 CA-C-O 116.56 -1.686 . . . . 56.42 112.564 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -112.17 149.31 40.76 Favored Pre-proline 0 N--CA 1.507 2.419 0 CA-C-O 115.936 -1.983 . . . . 46.18 109.881 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -80.14 164.08 81.1 Favored 'Cis proline' 0 C--N 1.313 -1.305 0 O-C-N 125.281 2.201 . . . . 39.46 109.006 -8.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.1 mt -52.37 114.26 1.3 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 104.312 -2.477 . . . . 36.84 104.312 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -49.07 139.83 10.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 126.799 2.562 . . . . 82.12 111.522 177.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . 0.267 45.9 m-20 68.71 16.93 8.94 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.36 2.356 . . . . 63.62 117.36 174.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' NH1' ' NE2' ' A' ' 35' ' ' GLN . 18.5 mtm180 -140.06 158.22 44.4 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.832 -1.914 . . . . 39.77 105.832 174.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . 0.458 ' CD1' ' CG2' ' A' ' 109' ' ' VAL . 39.1 mt -84.82 112.53 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 O-C-N 126.377 2.298 . . . . 46.56 106.329 173.575 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' N ' ' ND1' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -86.39 118.26 25.71 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 125.088 1.493 . . . . 36.54 110.076 178.364 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.3 mt -117.31 124.52 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 O-C-N 126.403 2.314 . . . . 35.98 110.821 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.12 137.2 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 O-C-N 126.164 2.165 . . . . 36.47 110.684 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 mt -102.88 137.67 40.77 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 126.12 2.137 . . . . 34.67 108.179 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.1 t -170.14 131.61 1.01 Allowed 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.814 -1.18 . . . . 39.97 107.814 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . 0.54 ' NH1' ' O ' ' A' ' 393' ' ' HOH . 20.1 mtt180 -84.9 -14.29 48.22 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 128.009 3.318 . . . . 88.67 108.332 175.226 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -101.87 -39.27 7.45 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 116.536 2.05 . . . . 46.15 116.536 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.33 150.25 48.59 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.873 1.67 . . . . 46.75 107.126 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . . . -93.69 -45.49 7.67 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 128.12 3.387 . . . . 70.56 108.585 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . . . -126.45 157.83 37.6 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 112.351 -2.204 . . . . 61.48 108.757 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.08 135.6 84.17 Favored Pre-proline 0 C--N 1.32 -0.674 0 C-N-CA 124.535 1.134 . . . . 55.35 108.677 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.99 148.93 82.69 Favored 'Trans proline' 0 CA--C 1.55 1.307 0 O-C-N 127.633 3.438 . . . . 50.65 105.076 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -52.42 113.4 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 126.768 2.542 . . . . 65.7 108.075 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.31 -32.79 6.23 Favored Glycine 0 C--O 1.263 1.929 0 CA-C-N 110.841 -2.891 . . . . 46.3 113.108 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.14 158.45 31.19 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.694 -1.202 . . . . 42.1 108.903 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . 0.472 ' ND1' ' N ' ' A' ' 72' ' ' ASN . 40.6 m80 -91.81 -35.21 14.23 Favored 'General case' 0 N--CA 1.427 -1.581 0 C-N-CA 128.809 2.844 . . . . 45.75 111.319 179.058 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -153.19 149.16 27.71 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.482 0.713 . . . . 61.4 109.755 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 tp -118.63 139.43 51.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 127.552 3.033 . . . . 47.47 104.965 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.8 m -142.6 152.02 42.1 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 126.257 2.223 . . . . 48.33 108.041 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 295' ' ' HOH . 0.0 OUTLIER -92.16 -21.15 20.56 Favored 'General case' 0 C--O 1.263 1.785 0 O-C-N 128.199 3.437 . . . . 76.87 112.367 -173.74 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.7 p -156.44 174.8 14.89 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.12 -1.832 . . . . 43.04 106.334 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.7 tp -66.68 -43.05 85.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 128.665 3.728 . . . . 38.65 106.569 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.53 -52.7 44.78 Favored 'General case' 0 C--O 1.25 1.127 0 O-C-N 126.757 2.535 . . . . 59.33 112.193 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -54.18 -46.08 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 123.001 1.381 . . . . 62.39 109.293 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.01 76.08 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.098 -1.075 . . . . 43.86 108.098 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . 0.419 82.7 mt -59.15 -51.26 70.78 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 123.501 1.619 . . . . 48.73 111.549 -176.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.88 -54.06 33.47 Favored 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.042 2.537 . . . . 51.97 111.405 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.95 -48.62 42.88 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 124.18 1.943 . . . . 51.92 107.859 178.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . 0.286 15.7 mt -56.3 -44.94 80.34 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-O 116.568 -1.682 . . . . 61.76 111.694 -175.59 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.26 74.2 m-20 -64.41 -20.03 65.89 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 124.678 1.236 . . . . 80.64 113.127 -179.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 106' ' ' LYS 0.475 1.3 p -54.1 152.27 11.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 C-N-CA 124.179 0.991 . . . . 74.43 111.569 179.805 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -41.56 -66.65 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 1 C-N-CA 125.589 4.193 . . . . 79.46 113.883 -176.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -54.34 -34.55 61.33 Favored 'General case' 0 C--O 1.263 1.789 0 C-N-CA 126.853 2.061 . . . . 89.12 115.333 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.689 -0.856 . . . . 77.25 108.689 -179.78 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 102' ' ' SER . . . -32.17 -53.37 0.29 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.712 -2.04 . . . . 78.48 108.245 -177.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.6 p -84.32 -23.25 30.34 Favored 'General case' 0 C--O 1.27 2.183 0 N-CA-C 119.832 3.271 . . . . 81.28 119.832 -174.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . . . -90.58 -5.07 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 116.483 -1.722 . . . . 65.06 114.192 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . 0.458 ' CG2' ' CD1' ' A' ' 71' ' ' ILE . 74.3 t -119.35 128.14 75.85 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 N-CA-C 117.361 2.356 . . . . 54.86 117.361 -170.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' GLN 0.285 49.5 t0 -89.78 -85.73 0.2 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.719 1.247 . . . . 43.59 110.799 -179.989 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 240' ' ' HOH . 0.3 OUTLIER -104.33 151.97 22.81 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.798 -1.546 . . . . 48.85 107.373 -176.835 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.34 124.18 63.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 126.256 2.222 . . . . 34.23 109.903 174.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -120.85 127.89 52.32 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 126.359 2.287 . . . . 38.22 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 36.3 mm -92.72 115.96 32.75 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 127.133 2.173 . . . . 26.21 106.028 173.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.289 16.8 m -109.17 15.72 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 O-C-N 126.556 2.41 . . . . 27.8 116.593 -178.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.98 -176.74 36.35 Favored Glycine 0 C--O 1.267 2.172 0 O-C-N 126.775 2.547 . . . . 29.72 114.221 172.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.8 -155.08 24.89 Favored Glycine 0 N--CA 1.436 -1.328 1 C-N-CA 130.973 4.13 . . . . 23.55 114.243 5.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.0 m -39.87 -60.54 0.99 Allowed 'General case' 0 C--O 1.249 1.029 0 C-N-CA 126.561 1.944 . . . . 33.29 113.738 -176.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.39 91.3 Favored 'General case' 0 C--O 1.252 1.198 0 C-N-CA 123.382 0.673 . . . . 30.27 111.677 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.9 t -61.52 -51.49 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 C-N-CA 118.532 -1.267 . . . . 31.21 110.828 177.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -52.63 -51.53 59.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.419 0.628 . . . . 28.86 109.798 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.06 -50.56 68.81 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 123.138 1.447 . . . . 71.83 112.954 -175.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.38 64.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 112.201 -2.272 . . . . 38.25 109.111 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.74 85.6 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.21 1.569 . . . . 36.36 109.826 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . 0.438 56.0 mtm -57.88 -45.78 85.84 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-O 122.222 1.011 . . . . 50.94 113.432 -177.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.28 -22.98 62.8 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 116.507 2.04 . . . . 62.69 116.507 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -62.26 134.6 94.76 Favored Pre-proline 0 N--CA 1.486 1.331 0 N-CA-C 105.28 -2.119 . . . . 49.75 105.28 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.39 66.51 5.87 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 O-C-N 125.19 2.153 . . . . 50.23 107.293 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ILE . . . . . 0.532 ' CG1' ' N ' ' A' ' 130' ' ' ASN . 0.0 OUTLIER -132.96 156.58 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 112.56 -2.109 . . . . 53.48 106.143 176.357 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASN . . . . . 0.532 ' N ' ' CG1' ' A' ' 129' ' ' ILE 0.258 2.9 m120 -57.05 135.91 56.32 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 128.51 3.631 . . . . 64.98 103.82 175.716 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -158.6 137.66 11.4 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 112.67 -2.059 . . . . 38.17 110.451 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -125.32 130.76 52.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.153 -1.839 . . . . 81.26 108.111 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 58.8 tp -115.43 120.26 38.97 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 127.237 2.836 . . . . 31.34 107.981 -174.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -104.01 108.36 19.67 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 126.693 2.496 . . . . 33.1 106.609 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.52 133.28 58.78 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 125.064 1.478 . . . . 34.06 111.926 -178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.5 m -102.44 110.82 22.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 114.168 -2.825 . . . . 27.19 105.678 169.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ARG . . . . . 0.414 ' NE ' ' OE1' ' A' ' 180' ' ' GLU . 5.4 mtt180 -88.68 108.18 19.33 Favored 'General case' 0 C--O 1.265 1.896 0 O-C-N 126.97 2.669 . . . . 56.42 111.314 175.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 20.5 mt -85.44 111.84 21.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.08 2.112 . . . . 31.87 106.577 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LEU . . . . . 0.622 ' C ' ' CD2' ' A' ' 140' ' ' HIS . 21.9 mt -71.83 39.78 0.07 Allowed 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 124.935 1.294 . . . . 46.32 114.447 -172.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HIS . . . . . 0.622 ' CD2' ' C ' ' A' ' 139' ' ' LEU . 8.5 m-70 -141.56 163.03 34.02 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-O 122.624 1.202 . . . . 75.56 110.957 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLU . . . . . 0.577 ' CB ' ' CE2' ' A' ' 201' ' ' MBO . . . -102.67 102.87 13.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.743 -1.572 . . . . 63.03 108.364 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -112.0 143.23 43.35 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 100.758 -3.793 . . . . 50.31 100.758 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -68.02 133.71 49.48 Favored 'General case' 0 N--CA 1.486 1.332 1 O-C-N 130.516 4.885 . . . . 91.65 109.866 176.025 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.5 m -132.54 150.84 52.09 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 111.481 -2.599 . . . . 33.36 108.081 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -117.33 -0.7 11.94 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 126.47 2.356 . . . . 41.22 107.342 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 m -135.21 141.97 45.94 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.962 -1.125 . . . . 32.1 107.962 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 147' ' ' PHE . 9.6 m-85 -133.06 157.9 44.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 124.759 2.218 . . . . 37.99 116.206 -173.798 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -80.5 134.2 55.01 Favored Pre-proline 0 N--CA 1.472 0.646 1 CA-C-N 108.325 -4.034 . . . . 31.66 104.376 -179.292 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -52.62 160.98 3.26 Favored 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 126.343 2.76 . . . . 34.0 109.764 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.71 130.59 38.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.333 1.453 . . . . 65.78 107.43 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.65 135.77 29.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 124.967 1.417 . . . . 45.26 109.614 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 154' ' ' LYS 0.372 54.1 t0 -78.72 95.43 5.31 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.038 1.335 . . . . 41.42 111.491 177.088 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -57.41 -13.24 3.24 Favored 'General case' 0 C--O 1.268 2.038 0 O-C-N 125.802 1.939 . . . . 44.63 112.578 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 152' ' ' ASP . 0.0 OUTLIER -84.66 -30.4 24.9 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.39 1.681 . . . . 53.03 109.735 176.622 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -90.57 -49.9 6.23 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.069 -0.968 . . . . 66.16 112.968 -178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.62 110.02 20.93 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 117.702 -1.142 . . . . 43.74 110.529 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -94.93 135.53 36.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 125.067 1.479 . . . . 74.75 108.072 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . 0.268 8.3 tp -74.28 122.14 22.39 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 127.106 2.754 . . . . 42.15 106.415 179.717 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.1 mt -77.68 145.7 36.47 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 127.309 2.881 . . . . 50.16 106.255 175.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 30.1 p -83.69 -27.31 29.12 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 125.743 1.902 . . . . 57.84 108.929 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' GLU . . . . . 0.581 ' CG ' ' N ' ' A' ' 162' ' ' TYR . 4.4 tt0 -148.65 155.13 40.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.437 0.562 . . . . 88.07 111.303 175.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' TYR . . . . . 0.581 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 43.3 t80 -158.95 134.05 5.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 107.156 -1.424 . . . . 54.77 107.156 177.322 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -47.89 109.15 0.21 Allowed 'Trans proline' 0 C--O 1.271 2.152 0 C-N-CA 124.716 3.611 . . . . 59.58 118.992 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.09 20.25 50.27 Favored Glycine 0 C--O 1.26 1.735 0 CA-C-N 114.216 -1.356 . . . . 73.81 113.542 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 28.5 t -123.22 105.17 34.33 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 106.002 -1.851 . . . . 59.8 106.002 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.51 148.43 5.43 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 O-C-N 126.459 2.821 . . . . 51.2 105.169 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -106.02 -19.08 13.84 Favored 'General case' 0 C--O 1.261 1.681 0 CA-C-N 119.324 0.966 . . . . 55.0 113.25 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.24 160.42 27.94 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 108.221 -1.029 . . . . 85.31 108.221 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.4 129.5 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 127.014 2.696 . . . . 49.37 107.448 168.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -103.23 170.2 8.09 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 106.575 -1.639 . . . . 58.59 106.575 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -151.85 145.47 24.95 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 125.37 1.468 . . . . 68.74 109.431 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -169.06 137.33 1.98 Allowed 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 104.058 -2.571 . . . . 56.39 104.058 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 51.16 36.33 15.44 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 114.575 -2.631 . . . . 45.97 111.396 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 78.38 4.1 86.66 Favored Glycine 0 C--N 1.266 -3.336 0 O-C-N 126.688 2.492 . . . . 34.75 114.062 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . 0.326 38.3 mm -112.0 142.64 23.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 105.368 -2.086 . . . . 36.82 105.368 -173.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -108.34 157.89 17.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 117.188 -1.805 . . . . 39.24 107.179 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -154.87 167.58 29.81 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 126.214 2.196 . . . . 50.99 108.713 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' LYS . . . . . 0.665 ' NZ ' ' OE2' ' A' ' 180' ' ' GLU . 7.9 pttt -137.63 147.37 44.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 125.914 2.009 . . . . 65.93 110.247 177.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -97.28 136.46 37.73 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.262 -1.755 . . . . 39.48 106.262 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' GLU . . . . . 0.665 ' OE2' ' NZ ' ' A' ' 178' ' ' LYS . 78.6 mt-10 -138.93 146.33 40.91 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 127.861 3.226 . . . . 50.0 109.036 -178.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.23 122.29 48.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 O-C-N 125.715 1.884 . . . . 32.9 107.944 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -111.99 151.65 29.04 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 105.14 -2.171 . . . . 35.64 105.14 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -136.5 129.09 30.49 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 126.026 2.079 . . . . 63.48 113.079 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 608' ' ' HOH . 28.5 tttt -110.12 129.58 55.68 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 127.806 3.191 . . . . 48.5 107.4 178.558 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 3.9 m -117.0 123.84 47.88 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 127.346 2.904 . . . . 66.25 111.963 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.265 1.917 0 CA-C-O 114.402 -2.713 . . . . 81.72 107.656 176.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' NAP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' MBO . . . . . 0.577 ' CE2' ' CB ' ' A' ' 141' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . 0.497 ' O ' ' CE ' ' A' ' 111' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 295' ' ' HOH . . . . . 0.476 ' O ' ' CD ' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' HOH . . . . . 0.54 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . 0.571 ' O ' ' NZ ' ' A' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 653' ' ' HOH . . . . . 0.55 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 708' ' ' HOH . . . . . 0.404 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.802 0.811 . . . . 78.41 110.02 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . . . -68.68 -55.69 10.6 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-O 121.598 0.713 . . . . 69.81 111.795 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 130' ' ' ASN 0.275 60.8 p -159.03 151.57 21.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.663 -0.699 . . . . 58.65 110.151 -172.833 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . 0.894 ' HG ' ' CD1' ' A' ' 129' ' ' ILE 0.265 52.0 mt -105.83 165.92 10.85 Favored 'General case' 0 N--CA 1.508 2.44 0 C-N-CA 117.195 -1.802 . . . . 41.88 106.957 176.967 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.27 140.08 49.74 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 104.029 -2.582 . . . . 35.59 104.029 173.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.262 10.0 m -128.3 141.11 51.54 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 128.199 3.437 . . . . 32.62 105.559 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -132.67 131.94 59.77 Favored 'Isoleucine or valine' 0 C--O 1.245 0.82 0 O-C-N 128.375 3.547 . . . . 28.83 107.012 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -146.46 158.05 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 128.84 3.837 . . . . 23.62 109.087 174.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.15 128.78 56.59 Favored 'General case' 0 C--N 1.276 -2.595 0 C-N-CA 126.075 1.75 . . . . 31.33 107.643 168.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG11 ' HE3' ' A' ' 14' ' ' MET . 35.4 m -130.94 146.79 33.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 120.315 1.416 . . . . 31.08 109.721 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . 0.564 ' SG ' ' HZ3' ' A' ' 24' ' ' TRP 0.609 27.0 p -92.9 -171.7 2.78 Favored 'General case' 0 C--O 1.273 2.316 0 N-CA-C 104.558 -2.386 . . . . 40.0 104.558 176.452 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . 0.578 2.9 mt-30 -56.29 -40.81 74.89 Favored 'General case' 0 CA--C 1.476 -1.875 0 N-CA-C 121.01 3.707 . . . . 73.48 121.01 -174.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' A' ' 14' ' ' MET . . . -84.18 7.5 18.79 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 117.531 -3.231 . . . . 50.29 111.794 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' A' ' 13' ' ' ASN . 50.1 mmm 78.69 19.09 0.9 Allowed 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.076 1.307 . . . . 57.06 108.987 -176.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.46 146.47 30.23 Favored Glycine 0 N--CA 1.504 3.199 0 N-CA-C 106.867 -2.493 . . . . 26.45 106.867 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.72 ' O ' ' H2N' ' A' ' 191' ' ' NAP . 20.8 pt -126.85 -12.25 4.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 113.489 0.922 . . . . 24.35 113.489 -177.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 169.25 34.89 Favored Glycine 0 C--O 1.248 0.992 0 CA-C-O 124.514 2.174 . . . . 27.28 113.118 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.94 121.13 3.52 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 110.902 -2.649 . . . . 57.17 108.173 179.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 55.21 45.13 26.5 Favored 'General case' 0 C--O 1.264 1.851 0 O-C-N 127.003 2.689 . . . . 60.55 112.23 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.68 1.93 79.16 Favored Glycine 0 C--O 1.26 1.78 0 C-N-CA 117.895 -2.098 . . . . 42.46 112.38 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.485 ' CG ' ' H ' ' A' ' 22' ' ' LEU 0.275 3.8 t-20 -133.29 -169.51 2.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 118.709 1.255 . . . . 73.64 110.537 177.41 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' H ' ' CG ' ' A' ' 21' ' ' ASN . 48.2 mt -81.32 154.22 71.77 Favored Pre-proline 0 N--CA 1.484 1.265 0 O-C-N 126.505 2.378 . . . . 38.47 108.398 174.143 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 5.6 Cg_exo -71.43 -23.86 23.22 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 CA-C-O 113.995 -2.585 . . . . 32.16 113.091 178.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' HZ3' ' SG ' ' A' ' 11' ' ' CYS . 7.4 p90 -114.47 156.84 44.03 Favored Pre-proline 0 N--CA 1.497 1.892 0 CA-C-N 120.966 1.712 . . . . 34.18 109.723 -177.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -67.24 170.59 13.0 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 N-CA-C 103.139 -3.447 . . . . 33.05 103.139 174.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.77 135.36 32.64 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 126.422 2.801 . . . . 37.01 113.848 -170.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.0 mt -110.57 113.44 26.07 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 129.918 3.287 . . . . 42.68 104.517 170.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . . . -53.55 -58.14 8.22 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 125.082 2.372 . . . . 77.22 112.218 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . 0.671 ' HB2' ' OE1' ' A' ' 172' ' ' GLU 0.457 69.4 m-80 -59.13 -31.86 69.33 Favored 'General case' 0 C--O 1.269 2.11 0 N-CA-C 115.52 1.674 . . . . 68.17 115.52 -177.594 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 1.8 tm-20 -69.54 -46.47 66.4 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-O 123.105 1.431 . . . . 73.93 107.988 179.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -52.88 -60.5 3.2 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 112.379 -2.191 . . . . 79.7 114.214 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' NZ ' ' OD1' ' A' ' 29' ' ' ASN . 12.3 mttp -54.5 -32.51 58.11 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 123.39 0.676 . . . . 69.13 109.551 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 37' ' ' MET . 71.2 t80 -61.54 -38.37 87.17 Favored 'General case' 0 C--O 1.258 1.506 0 CA-C-O 122.603 1.192 . . . . 46.16 110.199 178.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -71.15 -52.72 17.62 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.319 -1.764 . . . . 41.31 111.266 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -54.9 -52.65 62.22 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 127.09 2.744 . . . . 60.86 109.767 176.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.359 . . -58.14 -53.17 61.24 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 114.23 -1.35 . . . . 61.48 111.981 -179.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 33' ' ' TYR . 71.9 mmm -63.48 -37.98 89.37 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 120.232 -1.542 . . . . 44.76 113.836 -178.115 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . 0.321 71.8 p -80.49 -38.59 29.58 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 114.011 1.115 . . . . 36.4 114.011 -175.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.43 -36.35 60.78 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 129.558 3.143 . . . . 49.51 116.31 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.692 ' O ' ' HE2' ' A' ' 111' ' ' MET . 38.5 m -70.36 115.07 9.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 117.249 -1.358 . . . . 45.13 114.456 -175.112 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -100.97 145.67 28.38 Favored 'General case' 0 C--O 1.258 1.502 0 C-N-CA 126.972 2.109 . . . . 57.53 111.639 174.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . 0.511 ' C ' ' O ' ' A' ' 653' ' ' HOH . 30.4 m80 -104.58 37.7 2.06 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 124.289 0.993 . . . . 81.58 111.038 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.651 HG11 ' HD2' ' A' ' 46' ' ' LYS . 38.6 t -159.88 132.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 122.147 0.975 . . . . 61.74 108.787 -177.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.522 14.1 pt-20 -67.17 134.96 52.75 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-O 126.146 2.879 . . . . 101.97 113.416 -178.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.98 15.64 69.63 Favored Glycine 0 C--O 1.248 0.972 0 CA-C-N 112.062 -2.335 . . . . 71.8 110.581 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HD2' HG11 ' A' ' 43' ' ' VAL 0.349 66.9 mttt -107.73 156.38 19.16 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 108.179 -1.045 . . . . 65.04 108.179 172.713 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 1.5 mt-30 -130.01 155.42 46.14 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 116.673 -1.632 . . . . 63.0 106.919 -178.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' OD1' ' HG3' ' A' ' 111' ' ' MET . 61.8 m-20 -96.42 155.94 16.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 128.299 3.499 . . . . 41.1 104.569 -179.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.73 136.26 52.53 Favored 'General case' 0 C--O 1.257 1.462 1 O-C-N 130.433 4.833 . . . . 34.92 109.322 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 m -116.51 138.66 46.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 O-C-N 125.949 2.031 . . . . 30.58 106.28 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -118.48 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 1 O-C-N 130.539 4.9 . . . . 32.99 109.946 177.44 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 6.9 ptp -153.71 159.65 42.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 125.437 1.71 . . . . 32.86 108.599 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.78 175.5 53.51 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 107.636 -2.185 . . . . 30.53 107.636 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -69.35 -44.15 72.19 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 126.814 2.126 . . . . 33.47 112.032 -175.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 613' ' ' HOH . 4.6 tttt -62.8 -42.58 99.77 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 114.118 -1.401 . . . . 61.94 108.676 -176.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.9 m -60.81 -47.17 87.57 Favored 'General case' 0 C--O 1.269 2.081 0 O-C-N 120.861 -1.149 . . . . 33.6 114.067 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TRP . . . . . 0.527 ' CE2' ' HD3' ' A' ' 65' ' ' ARG . 19.7 t-105 -52.83 -45.97 67.55 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.328 -0.857 . . . . 33.14 111.107 179.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -73.68 -18.68 60.99 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 124.715 1.259 . . . . 36.97 111.81 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 p -70.34 -25.46 63.3 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 113.922 -1.49 . . . . 43.41 107.721 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -73.81 132.59 80.29 Favored Pre-proline 0 C--O 1.248 1.025 0 O-C-N 124.616 1.198 . . . . 38.34 110.209 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -56.25 130.08 38.25 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 O-C-N 126.444 2.812 . . . . 38.05 105.635 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -47.17 -49.31 22.81 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 127.669 2.388 . . . . 81.46 114.445 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -67.55 -11.91 59.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.141 -1.845 . . . . 48.1 109.373 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . 0.309 79.5 m-20 -101.02 14.53 31.67 Favored 'General case' 0 C--O 1.265 1.875 0 CA-C-O 116.56 -1.686 . . . . 56.42 112.564 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . 0.527 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 24.3 mtt180 -112.17 149.31 40.76 Favored Pre-proline 0 N--CA 1.507 2.419 0 CA-C-O 115.936 -1.983 . . . . 46.18 109.881 -178.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB2' ' CG ' ' A' ' 72' ' ' ASN . 3.4 Cg_endo -80.14 164.08 81.1 Favored 'Cis proline' 0 C--N 1.313 -1.305 0 O-C-N 125.281 2.201 . . . . 39.46 109.006 -8.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.1 mt -52.37 114.26 1.3 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 104.312 -2.477 . . . . 36.84 104.312 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HE2' ' OD2' ' A' ' 69' ' ' ASP . 6.7 tttt -49.07 139.83 10.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 126.799 2.562 . . . . 82.12 111.522 177.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD2' ' HE2' ' A' ' 68' ' ' LYS 0.267 45.9 m-20 68.71 16.93 8.94 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.36 2.356 . . . . 63.62 117.36 174.704 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -140.06 158.22 44.4 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.832 -1.914 . . . . 39.77 105.832 174.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . 0.735 HD12 HG22 ' A' ' 109' ' ' VAL . 39.1 mt -84.82 112.53 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 O-C-N 126.377 2.298 . . . . 46.56 106.329 173.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . 0.551 ' CG ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -86.39 118.26 25.71 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 125.088 1.493 . . . . 36.54 110.076 178.364 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.3 mt -117.31 124.52 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 O-C-N 126.403 2.314 . . . . 35.98 110.821 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.12 137.2 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 O-C-N 126.164 2.165 . . . . 36.47 110.684 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' SER . 36.3 mt -102.88 137.67 40.77 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 126.12 2.137 . . . . 34.67 108.179 175.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.1 t -170.14 131.61 1.01 Allowed 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.814 -1.18 . . . . 39.97 107.814 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . 0.659 ' HD2' ' O ' ' A' ' 393' ' ' HOH . 20.1 mtt180 -84.9 -14.29 48.22 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 128.009 3.318 . . . . 88.67 108.332 175.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -101.87 -39.27 7.45 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 116.536 2.05 . . . . 46.15 116.536 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.33 150.25 48.59 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.873 1.67 . . . . 46.75 107.126 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . . . -93.69 -45.49 7.67 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 128.12 3.387 . . . . 70.56 108.585 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . . . -126.45 157.83 37.6 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 112.351 -2.204 . . . . 61.48 108.757 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.08 135.6 84.17 Favored Pre-proline 0 C--N 1.32 -0.674 0 C-N-CA 124.535 1.134 . . . . 55.35 108.677 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.99 148.93 82.69 Favored 'Trans proline' 0 CA--C 1.55 1.307 0 O-C-N 127.633 3.438 . . . . 50.65 105.076 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -52.42 113.4 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 126.768 2.542 . . . . 65.7 108.075 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.31 -32.79 6.23 Favored Glycine 0 C--O 1.263 1.929 0 CA-C-N 110.841 -2.891 . . . . 46.3 113.108 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.14 158.45 31.19 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.694 -1.202 . . . . 42.1 108.903 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.81 -35.21 14.23 Favored 'General case' 0 N--CA 1.427 -1.581 0 C-N-CA 128.809 2.844 . . . . 45.75 111.319 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -153.19 149.16 27.71 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.482 0.713 . . . . 61.4 109.755 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 90' ' ' SER . 1.9 tp -118.63 139.43 51.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 127.552 3.033 . . . . 47.47 104.965 178.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . 0.8 ' N ' HD12 ' A' ' 89' ' ' LEU . 9.8 m -142.6 152.02 42.1 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 126.257 2.223 . . . . 48.33 108.041 -179.54 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . 0.822 ' HD2' ' O ' ' A' ' 295' ' ' HOH . 0.0 OUTLIER -92.16 -21.15 20.56 Favored 'General case' 0 C--O 1.263 1.785 0 O-C-N 128.199 3.437 . . . . 76.87 112.367 -173.74 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.7 p -156.44 174.8 14.89 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.12 -1.832 . . . . 43.04 106.334 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 59.7 tp -66.68 -43.05 85.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 128.665 3.728 . . . . 38.65 106.569 -179.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.53 -52.7 44.78 Favored 'General case' 0 C--O 1.25 1.127 0 O-C-N 126.757 2.535 . . . . 59.33 112.193 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -54.18 -46.08 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 123.001 1.381 . . . . 62.39 109.293 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 93' ' ' LEU . . . -56.55 -49.01 76.08 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.098 -1.075 . . . . 43.86 108.098 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . 0.419 82.7 mt -59.15 -51.26 70.78 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 123.501 1.619 . . . . 48.73 111.549 -176.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.88 -54.06 33.47 Favored 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.042 2.537 . . . . 51.97 111.405 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -48.95 -48.62 42.88 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 124.18 1.943 . . . . 51.92 107.859 178.35 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . 0.286 15.7 mt -56.3 -44.94 80.34 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-O 116.568 -1.682 . . . . 61.76 111.694 -175.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.26 74.2 m-20 -64.41 -20.03 65.89 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 124.678 1.236 . . . . 80.64 113.127 -179.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . 0.834 ' HB2' ' HD2' ' A' ' 103' ' ' PRO 0.475 1.3 p -54.1 152.27 11.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 C-N-CA 124.179 0.991 . . . . 74.43 111.569 179.805 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PRO . . . . . 0.834 ' HD2' ' HB2' ' A' ' 102' ' ' SER . 4.0 Cg_exo -41.56 -66.65 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 1 C-N-CA 125.589 4.193 . . . . 79.46 113.883 -176.985 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -54.34 -34.55 61.33 Favored 'General case' 0 C--O 1.263 1.789 0 C-N-CA 126.853 2.061 . . . . 89.12 115.333 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.689 -0.856 . . . . 77.25 108.689 -179.78 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' LEU . . . -32.17 -53.37 0.29 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.712 -2.04 . . . . 78.48 108.245 -177.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SER . . . . . 0.52 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 99.6 p -84.32 -23.25 30.34 Favored 'General case' 0 C--O 1.27 2.183 0 N-CA-C 119.832 3.271 . . . . 81.28 119.832 -174.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . . . -90.58 -5.07 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 116.483 -1.722 . . . . 65.06 114.192 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . 0.735 HG22 HD12 ' A' ' 71' ' ' ILE . 74.3 t -119.35 128.14 75.85 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 N-CA-C 117.361 2.356 . . . . 54.86 117.361 -170.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . 0.285 49.5 t0 -89.78 -85.73 0.2 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.719 1.247 . . . . 43.59 110.799 -179.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' MET . . . . . 0.773 ' HE1' ' O ' ' A' ' 240' ' ' HOH . 0.3 OUTLIER -104.33 151.97 22.81 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.798 -1.546 . . . . 48.85 107.373 -176.835 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.34 124.18 63.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 126.256 2.222 . . . . 34.23 109.903 174.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -120.85 127.89 52.32 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 126.359 2.287 . . . . 38.22 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ILE . . . . . 0.681 HG23 HG12 ' A' ' 120' ' ' VAL . 36.3 mm -92.72 115.96 32.75 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 127.133 2.173 . . . . 26.21 106.028 173.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.289 16.8 m -109.17 15.72 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 O-C-N 126.556 2.41 . . . . 27.8 116.593 -178.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 52' ' ' MET . . . 93.98 -176.74 36.35 Favored Glycine 0 C--O 1.267 2.172 0 O-C-N 126.775 2.547 . . . . 29.72 114.221 172.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.8 -155.08 24.89 Favored Glycine 0 N--CA 1.436 -1.328 1 C-N-CA 130.973 4.13 . . . . 23.55 114.243 5.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.0 m -39.87 -60.54 0.99 Allowed 'General case' 0 C--O 1.249 1.029 0 C-N-CA 126.561 1.944 . . . . 33.29 113.738 -176.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.39 91.3 Favored 'General case' 0 C--O 1.252 1.198 0 C-N-CA 123.382 0.673 . . . . 30.27 111.677 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . 0.681 HG12 HG23 ' A' ' 114' ' ' ILE . 63.9 t -61.52 -51.49 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 C-N-CA 118.532 -1.267 . . . . 31.21 110.828 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -52.63 -51.53 59.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.419 0.628 . . . . 28.86 109.798 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.06 -50.56 68.81 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 123.138 1.447 . . . . 71.83 112.954 -175.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.38 64.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 112.201 -2.272 . . . . 38.25 109.111 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.74 85.6 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.21 1.569 . . . . 36.36 109.826 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . 0.438 56.0 mtm -57.88 -45.78 85.84 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-O 122.222 1.011 . . . . 50.94 113.432 -177.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.28 -22.98 62.8 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 116.507 2.04 . . . . 62.69 116.507 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -62.26 134.6 94.76 Favored Pre-proline 0 N--CA 1.486 1.331 0 N-CA-C 105.28 -2.119 . . . . 49.75 105.28 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.39 66.51 5.87 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 O-C-N 125.19 2.153 . . . . 50.23 107.293 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ILE . . . . . 0.894 ' CD1' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.96 156.58 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 112.56 -2.109 . . . . 53.48 106.143 176.357 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASN . . . . . 0.74 ' O ' HG12 ' A' ' 129' ' ' ILE 0.258 2.9 m120 -57.05 135.91 56.32 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 128.51 3.631 . . . . 64.98 103.82 175.716 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -158.6 137.66 11.4 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 112.67 -2.059 . . . . 38.17 110.451 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -125.32 130.76 52.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.153 -1.839 . . . . 81.26 108.111 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 58.8 tp -115.43 120.26 38.97 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 127.237 2.836 . . . . 31.34 107.981 -174.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -104.01 108.36 19.67 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 126.693 2.496 . . . . 33.1 106.609 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.52 133.28 58.78 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 125.064 1.478 . . . . 34.06 111.926 -178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.5 m -102.44 110.82 22.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 114.168 -2.825 . . . . 27.19 105.678 169.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 137' ' ' ARG . 5.4 mtt180 -88.68 108.18 19.33 Favored 'General case' 0 C--O 1.265 1.896 0 O-C-N 126.97 2.669 . . . . 56.42 111.314 175.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 20.5 mt -85.44 111.84 21.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.08 2.112 . . . . 31.87 106.577 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LEU . . . . . 0.622 ' C ' ' CD2' ' A' ' 140' ' ' HIS . 21.9 mt -71.83 39.78 0.07 Allowed 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 124.935 1.294 . . . . 46.32 114.447 -172.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HIS . . . . . 0.622 ' CD2' ' C ' ' A' ' 139' ' ' LEU . 8.5 m-70 -141.56 163.03 34.02 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-O 122.624 1.202 . . . . 75.56 110.957 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLU . . . . . 0.925 ' HB3' ' CE2' ' A' ' 201' ' ' MBO . . . -102.67 102.87 13.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.743 -1.572 . . . . 63.03 108.364 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -112.0 143.23 43.35 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 100.758 -3.793 . . . . 50.31 100.758 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -68.02 133.71 49.48 Favored 'General case' 0 N--CA 1.486 1.332 1 O-C-N 130.516 4.885 . . . . 91.65 109.866 176.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.5 m -132.54 150.84 52.09 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 111.481 -2.599 . . . . 33.36 108.081 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -117.33 -0.7 11.94 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 126.47 2.356 . . . . 41.22 107.342 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 m -135.21 141.97 45.94 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.962 -1.125 . . . . 32.1 107.962 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 147' ' ' PHE . 9.6 m-85 -133.06 157.9 44.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 124.759 2.218 . . . . 37.99 116.206 -173.798 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -80.5 134.2 55.01 Favored Pre-proline 0 N--CA 1.472 0.646 1 CA-C-N 108.325 -4.034 . . . . 31.66 104.376 -179.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -52.62 160.98 3.26 Favored 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 126.343 2.76 . . . . 34.0 109.764 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.71 130.59 38.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.333 1.453 . . . . 65.78 107.43 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ILE . . . . . 0.426 HG21 HD13 ' A' ' 151' ' ' ILE . 0.2 OUTLIER -96.65 135.77 29.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 124.967 1.417 . . . . 45.26 109.614 -179.853 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ASP . . . . . 0.447 ' OD1' ' HE2' ' A' ' 154' ' ' LYS 0.372 54.1 t0 -78.72 95.43 5.31 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.038 1.335 . . . . 41.42 111.491 177.088 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -57.41 -13.24 3.24 Favored 'General case' 0 C--O 1.268 2.038 0 O-C-N 125.802 1.939 . . . . 44.63 112.578 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' LYS . . . . . 0.447 ' HE2' ' OD1' ' A' ' 152' ' ' ASP . 0.0 OUTLIER -84.66 -30.4 24.9 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.39 1.681 . . . . 53.03 109.735 176.622 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -90.57 -49.9 6.23 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.069 -0.968 . . . . 66.16 112.968 -178.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.62 110.02 20.93 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 117.702 -1.142 . . . . 43.74 110.529 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 182' ' ' TYR . 51.7 mmtt -94.93 135.53 36.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 125.067 1.479 . . . . 74.75 108.072 176.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . 0.268 8.3 tp -74.28 122.14 22.39 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 127.106 2.754 . . . . 42.15 106.415 179.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.1 mt -77.68 145.7 36.47 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 127.309 2.881 . . . . 50.16 106.255 175.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 30.1 p -83.69 -27.31 29.12 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 125.743 1.902 . . . . 57.84 108.929 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' GLU . . . . . 0.836 ' HG2' ' N ' ' A' ' 162' ' ' TYR . 4.4 tt0 -148.65 155.13 40.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.437 0.562 . . . . 88.07 111.303 175.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 162' ' ' TYR . . . . . 0.836 ' N ' ' HG2' ' A' ' 161' ' ' GLU . 43.3 t80 -158.95 134.05 5.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 107.156 -1.424 . . . . 54.77 107.156 177.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 162' ' ' TYR . 9.6 Cg_endo -47.89 109.15 0.21 Allowed 'Trans proline' 0 C--O 1.271 2.152 0 C-N-CA 124.716 3.611 . . . . 59.58 118.992 177.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.09 20.25 50.27 Favored Glycine 0 C--O 1.26 1.735 0 CA-C-N 114.216 -1.356 . . . . 73.81 113.542 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 166' ' ' PRO . 28.5 t -123.22 105.17 34.33 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 106.002 -1.851 . . . . 59.8 106.002 176.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 166' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 165' ' ' VAL . 2.5 Cg_endo -47.51 148.43 5.43 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 O-C-N 126.459 2.821 . . . . 51.2 105.169 179.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -106.02 -19.08 13.84 Favored 'General case' 0 C--O 1.261 1.681 0 CA-C-N 119.324 0.966 . . . . 55.0 113.25 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.24 160.42 27.94 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 108.221 -1.029 . . . . 85.31 108.221 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.4 129.5 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 127.014 2.696 . . . . 49.37 107.448 168.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -103.23 170.2 8.09 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 106.575 -1.639 . . . . 58.59 106.575 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -151.85 145.47 24.95 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 125.37 1.468 . . . . 68.74 109.431 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' GLU . . . . . 0.671 ' OE1' ' HB2' ' A' ' 29' ' ' ASN . 12.5 tt0 -169.06 137.33 1.98 Allowed 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 104.058 -2.571 . . . . 56.39 104.058 -178.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 51.16 36.33 15.44 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 114.575 -2.631 . . . . 45.97 111.396 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 78.38 4.1 86.66 Favored Glycine 0 C--N 1.266 -3.336 0 O-C-N 126.688 2.492 . . . . 34.75 114.062 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . 0.326 38.3 mm -112.0 142.64 23.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 105.368 -2.086 . . . . 36.82 105.368 -173.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -108.34 157.89 17.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 117.188 -1.805 . . . . 39.24 107.179 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -154.87 167.58 29.81 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 126.214 2.196 . . . . 50.99 108.713 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' LYS . . . . . 0.546 ' NZ ' ' OE2' ' A' ' 180' ' ' GLU . 7.9 pttt -137.63 147.37 44.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 125.914 2.009 . . . . 65.93 110.247 177.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -97.28 136.46 37.73 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.262 -1.755 . . . . 39.48 106.262 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' GLU . . . . . 0.546 ' OE2' ' NZ ' ' A' ' 178' ' ' LYS . 78.6 mt-10 -138.93 146.33 40.91 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 127.861 3.226 . . . . 50.0 109.036 -178.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.23 122.29 48.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 O-C-N 125.715 1.884 . . . . 32.9 107.944 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 157' ' ' LYS . 40.7 m-85 -111.99 151.65 29.04 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 105.14 -2.171 . . . . 35.64 105.14 176.274 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -136.5 129.09 30.49 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 126.026 2.079 . . . . 63.48 113.079 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -110.12 129.58 55.68 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 127.806 3.191 . . . . 48.5 107.4 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 3.9 m -117.0 123.84 47.88 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 127.346 2.904 . . . . 66.25 111.963 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' VAL . . . . . 0.443 HG21 ' CA ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.265 1.917 0 CA-C-O 114.402 -2.713 . . . . 81.72 107.656 176.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' NAP . . . . . 0.72 ' H2N' ' O ' ' A' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' MBO . . . . . 1.243 ' HE2' ' CE3' ' A' ' 201' ' ' MBO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . 0.773 ' O ' ' HE1' ' A' ' 111' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 295' ' ' HOH . . . . . 0.822 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 393' ' ' HOH . . . . . 0.659 ' O ' ' HD2' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . 0.466 ' O ' ' HE2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 653' ' ' HOH . . . . . 0.55 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.802 0.811 . . . . 78.41 110.02 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . . . -68.68 -55.69 10.6 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-O 121.598 0.713 . . . . 69.81 111.795 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 130' ' ' ASN 0.275 60.8 p -159.03 151.57 21.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.663 -0.699 . . . . 58.65 110.151 -172.833 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.894 ' HG ' ' CD1' ' A' ' 129' ' ' ILE 0.265 52.0 mt -105.83 165.92 10.85 Favored 'General case' 0 N--CA 1.508 2.44 0 C-N-CA 117.195 -1.802 . . . . 41.88 106.957 176.967 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.27 140.08 49.74 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 104.029 -2.582 . . . . 35.59 104.029 173.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.262 10.0 m -128.3 141.11 51.54 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 128.199 3.437 . . . . 32.62 105.559 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -132.67 131.94 59.77 Favored 'Isoleucine or valine' 0 C--O 1.245 0.82 0 O-C-N 128.375 3.547 . . . . 28.83 107.012 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -146.46 158.05 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 128.84 3.837 . . . . 23.62 109.087 174.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.15 128.78 56.59 Favored 'General case' 0 C--N 1.276 -2.595 0 C-N-CA 126.075 1.75 . . . . 31.33 107.643 168.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG11 ' HE3' ' A' ' 14' ' ' MET . 35.4 m -130.94 146.79 33.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 120.315 1.416 . . . . 31.08 109.721 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.564 ' SG ' ' HZ3' ' A' ' 24' ' ' TRP 0.609 27.0 p -92.9 -171.7 2.78 Favored 'General case' 0 C--O 1.273 2.316 0 N-CA-C 104.558 -2.386 . . . . 40.0 104.558 176.452 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . 0.578 0.0 OUTLIER -56.29 -40.81 74.89 Favored 'General case' 0 CA--C 1.476 -1.875 0 N-CA-C 121.01 3.707 . . . . 73.48 121.01 -174.994 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' A' ' 14' ' ' MET . . . -84.18 7.5 18.79 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 117.531 -3.231 . . . . 50.29 111.794 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' A' ' 13' ' ' ASN . 50.1 mmm 78.69 19.09 0.9 Allowed 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.076 1.307 . . . . 57.06 108.987 -176.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.46 146.47 30.23 Favored Glycine 0 N--CA 1.504 3.199 0 N-CA-C 106.867 -2.493 . . . . 26.45 106.867 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.72 ' O ' ' H2N' ' A' ' 191' ' ' NAP . 20.8 pt -126.85 -12.25 4.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 113.489 0.922 . . . . 24.35 113.489 -177.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 169.25 34.89 Favored Glycine 0 C--O 1.248 0.992 0 CA-C-O 124.514 2.174 . . . . 27.28 113.118 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.94 121.13 3.52 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-N 110.902 -2.649 . . . . 57.17 108.173 179.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 55.21 45.13 26.5 Favored 'General case' 0 C--O 1.264 1.851 0 O-C-N 127.003 2.689 . . . . 60.55 112.23 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.68 1.93 79.16 Favored Glycine 0 C--O 1.26 1.78 0 C-N-CA 117.895 -2.098 . . . . 42.46 112.38 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 22' ' ' LEU 0.275 15.6 t30 -133.29 -169.51 2.29 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 118.709 1.255 . . . . 73.64 110.537 177.41 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 48.2 mt -81.32 154.22 71.77 Favored Pre-proline 0 N--CA 1.484 1.265 0 O-C-N 126.505 2.378 . . . . 38.47 108.398 174.143 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 5.6 Cg_exo -71.43 -23.86 23.22 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 CA-C-O 113.995 -2.585 . . . . 32.16 113.091 178.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' HZ3' ' SG ' ' A' ' 11' ' ' CYS . 7.4 p90 -114.47 156.84 44.03 Favored Pre-proline 0 N--CA 1.497 1.892 0 CA-C-N 120.966 1.712 . . . . 34.18 109.723 -177.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -67.24 170.59 13.0 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 N-CA-C 103.139 -3.447 . . . . 33.05 103.139 174.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.77 135.36 32.64 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 126.422 2.801 . . . . 37.01 113.848 -170.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.0 mt -110.57 113.44 26.07 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 129.918 3.287 . . . . 42.68 104.517 170.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . . . -53.55 -58.14 8.22 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 125.082 2.372 . . . . 77.22 112.218 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.671 ' HB2' ' OE1' ' A' ' 172' ' ' GLU 0.457 69.4 m-80 -59.13 -31.86 69.33 Favored 'General case' 0 C--O 1.269 2.11 0 N-CA-C 115.52 1.674 . . . . 68.17 115.52 -177.594 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 33' ' ' TYR . 1.8 tm-20 -69.54 -46.47 66.4 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-O 123.105 1.431 . . . . 73.93 107.988 179.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -52.88 -60.5 3.2 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 112.379 -2.191 . . . . 79.7 114.214 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' NZ ' ' OD1' ' A' ' 29' ' ' ASN . 12.3 mttp -54.5 -32.51 58.11 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 123.39 0.676 . . . . 69.13 109.551 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 37' ' ' MET . 71.2 t80 -61.54 -38.37 87.17 Favored 'General case' 0 C--O 1.258 1.506 0 CA-C-O 122.603 1.192 . . . . 46.16 110.199 178.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -71.15 -52.72 17.62 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 113.319 -1.764 . . . . 41.31 111.266 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.756 ' NE2' HH12 ' A' ' 70' ' ' ARG . 4.3 mm-40 -54.9 -52.65 62.22 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 127.09 2.744 . . . . 60.86 109.767 176.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.359 . . -58.14 -53.17 61.24 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 114.23 -1.35 . . . . 61.48 111.981 -179.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 33' ' ' TYR . 71.9 mmm -63.48 -37.98 89.37 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 120.232 -1.542 . . . . 44.76 113.836 -178.115 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . 0.321 71.8 p -80.49 -38.59 29.58 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 114.011 1.115 . . . . 36.4 114.011 -175.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -75.43 -36.35 60.78 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 129.558 3.143 . . . . 49.51 116.31 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.692 ' O ' ' HE2' ' A' ' 111' ' ' MET . 38.5 m -70.36 115.07 9.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 117.249 -1.358 . . . . 45.13 114.456 -175.112 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -100.97 145.67 28.38 Favored 'General case' 0 C--O 1.258 1.502 0 C-N-CA 126.972 2.109 . . . . 57.53 111.639 174.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.511 ' C ' ' O ' ' A' ' 653' ' ' HOH . 30.4 m80 -104.58 37.7 2.06 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 124.289 0.993 . . . . 81.58 111.038 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.651 HG11 ' HD2' ' A' ' 46' ' ' LYS . 38.6 t -159.88 132.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 122.147 0.975 . . . . 61.74 108.787 -177.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.522 14.1 pt-20 -67.17 134.96 52.75 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-O 126.146 2.879 . . . . 101.97 113.416 -178.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.98 15.64 69.63 Favored Glycine 0 C--O 1.248 0.972 0 CA-C-N 112.062 -2.335 . . . . 71.8 110.581 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HD2' HG11 ' A' ' 43' ' ' VAL 0.349 66.9 mttt -107.73 156.38 19.16 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 108.179 -1.045 . . . . 65.04 108.179 172.713 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 0.1 OUTLIER -130.01 155.42 46.14 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 116.673 -1.632 . . . . 63.0 106.919 -178.166 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' OD1' ' HG3' ' A' ' 111' ' ' MET . 61.8 m-20 -96.42 155.94 16.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 128.299 3.499 . . . . 41.1 104.569 -179.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.73 136.26 52.53 Favored 'General case' 0 C--O 1.257 1.462 1 O-C-N 130.433 4.833 . . . . 34.92 109.322 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 m -116.51 138.66 46.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 O-C-N 125.949 2.031 . . . . 30.58 106.28 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -118.48 134.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 1 O-C-N 130.539 4.9 . . . . 32.99 109.946 177.44 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 6.9 ptp -153.71 159.65 42.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 125.437 1.71 . . . . 32.86 108.599 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.78 175.5 53.51 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 107.636 -2.185 . . . . 30.53 107.636 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -69.35 -44.15 72.19 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 126.814 2.126 . . . . 33.47 112.032 -175.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 613' ' ' HOH . 4.6 tttt -62.8 -42.58 99.77 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 114.118 -1.401 . . . . 61.94 108.676 -176.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.9 m -60.81 -47.17 87.57 Favored 'General case' 0 C--O 1.269 2.081 0 O-C-N 120.861 -1.149 . . . . 33.6 114.067 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.527 ' CE2' ' HD3' ' A' ' 65' ' ' ARG . 19.7 t-105 -52.83 -45.97 67.55 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.328 -0.857 . . . . 33.14 111.107 179.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -73.68 -18.68 60.99 Favored 'General case' 0 C--O 1.251 1.183 0 O-C-N 124.715 1.259 . . . . 36.97 111.81 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 p -70.34 -25.46 63.3 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 113.922 -1.49 . . . . 43.41 107.721 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -73.81 132.59 80.29 Favored Pre-proline 0 C--O 1.248 1.025 0 O-C-N 124.616 1.198 . . . . 38.34 110.209 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -56.25 130.08 38.25 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 O-C-N 126.444 2.812 . . . . 38.05 105.635 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -47.17 -49.31 22.81 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 127.669 2.388 . . . . 81.46 114.445 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -67.55 -11.91 59.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.141 -1.845 . . . . 48.1 109.373 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . 0.309 79.5 m-20 -101.02 14.53 31.67 Favored 'General case' 0 C--O 1.265 1.875 0 CA-C-O 116.56 -1.686 . . . . 56.42 112.564 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.527 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 24.3 mtt180 -112.17 149.31 40.76 Favored Pre-proline 0 N--CA 1.507 2.419 0 CA-C-O 115.936 -1.983 . . . . 46.18 109.881 -178.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB2' ' CG ' ' A' ' 72' ' ' ASN . 3.4 Cg_endo -80.14 164.08 81.1 Favored 'Cis proline' 0 C--N 1.313 -1.305 0 O-C-N 125.281 2.201 . . . . 39.46 109.006 -8.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.1 mt -52.37 114.26 1.3 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 104.312 -2.477 . . . . 36.84 104.312 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HE2' ' OD2' ' A' ' 69' ' ' ASP . 6.7 tttt -49.07 139.83 10.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 126.799 2.562 . . . . 82.12 111.522 177.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.532 ' OD2' ' HE2' ' A' ' 68' ' ' LYS 0.267 45.9 m-20 68.71 16.93 8.94 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.36 2.356 . . . . 63.62 117.36 174.704 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.756 HH12 ' NE2' ' A' ' 35' ' ' GLN . 18.5 mtm180 -140.06 158.22 44.4 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.832 -1.914 . . . . 39.77 105.832 174.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.735 HD12 HG22 ' A' ' 109' ' ' VAL . 39.1 mt -84.82 112.53 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 O-C-N 126.377 2.298 . . . . 46.56 106.329 173.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.551 ' CG ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -86.39 118.26 25.71 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 125.088 1.493 . . . . 36.54 110.076 178.364 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.3 mt -117.31 124.52 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 O-C-N 126.403 2.314 . . . . 35.98 110.821 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.12 137.2 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 O-C-N 126.164 2.165 . . . . 36.47 110.684 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' SER . 36.3 mt -102.88 137.67 40.77 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 126.12 2.137 . . . . 34.67 108.179 175.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.1 t -170.14 131.61 1.01 Allowed 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.814 -1.18 . . . . 39.97 107.814 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.659 ' HD2' ' O ' ' A' ' 393' ' ' HOH . 20.1 mtt180 -84.9 -14.29 48.22 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 128.009 3.318 . . . . 88.67 108.332 175.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -101.87 -39.27 7.45 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 116.536 2.05 . . . . 46.15 116.536 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.33 150.25 48.59 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.873 1.67 . . . . 46.75 107.126 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . . . -93.69 -45.49 7.67 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 128.12 3.387 . . . . 70.56 108.585 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . . . -126.45 157.83 37.6 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 112.351 -2.204 . . . . 61.48 108.757 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.08 135.6 84.17 Favored Pre-proline 0 C--N 1.32 -0.674 0 C-N-CA 124.535 1.134 . . . . 55.35 108.677 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -58.99 148.93 82.69 Favored 'Trans proline' 0 CA--C 1.55 1.307 0 O-C-N 127.633 3.438 . . . . 50.65 105.076 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -52.42 113.4 1.04 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 126.768 2.542 . . . . 65.7 108.075 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.31 -32.79 6.23 Favored Glycine 0 C--O 1.263 1.929 0 CA-C-N 110.841 -2.891 . . . . 46.3 113.108 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.14 158.45 31.19 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.694 -1.202 . . . . 42.1 108.903 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.81 -35.21 14.23 Favored 'General case' 0 N--CA 1.427 -1.581 0 C-N-CA 128.809 2.844 . . . . 45.75 111.319 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -153.19 149.16 27.71 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.482 0.713 . . . . 61.4 109.755 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 90' ' ' SER . 1.9 tp -118.63 139.43 51.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 127.552 3.033 . . . . 47.47 104.965 178.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . 0.8 ' N ' HD12 ' A' ' 89' ' ' LEU . 9.8 m -142.6 152.02 42.1 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 126.257 2.223 . . . . 48.33 108.041 -179.54 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.822 ' HD2' ' O ' ' A' ' 295' ' ' HOH . 0.0 OUTLIER -92.16 -21.15 20.56 Favored 'General case' 0 C--O 1.263 1.785 0 O-C-N 128.199 3.437 . . . . 76.87 112.367 -173.74 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.7 p -156.44 174.8 14.89 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 117.12 -1.832 . . . . 43.04 106.334 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 59.7 tp -66.68 -43.05 85.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 128.665 3.728 . . . . 38.65 106.569 -179.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.53 -52.7 44.78 Favored 'General case' 0 C--O 1.25 1.127 0 O-C-N 126.757 2.535 . . . . 59.33 112.193 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -54.18 -46.08 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 123.001 1.381 . . . . 62.39 109.293 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 93' ' ' LEU . . . -56.55 -49.01 76.08 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.098 -1.075 . . . . 43.86 108.098 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . 0.419 82.7 mt -59.15 -51.26 70.78 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 123.501 1.619 . . . . 48.73 111.549 -176.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.88 -54.06 33.47 Favored 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.042 2.537 . . . . 51.97 111.405 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -48.95 -48.62 42.88 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 124.18 1.943 . . . . 51.92 107.859 178.35 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . 0.286 15.7 mt -56.3 -44.94 80.34 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-O 116.568 -1.682 . . . . 61.76 111.694 -175.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.26 74.2 m-20 -64.41 -20.03 65.89 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 124.678 1.236 . . . . 80.64 113.127 -179.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . 0.834 ' HB2' ' HD2' ' A' ' 103' ' ' PRO 0.475 1.3 p -54.1 152.27 11.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 C-N-CA 124.179 0.991 . . . . 74.43 111.569 179.805 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.834 ' HD2' ' HB2' ' A' ' 102' ' ' SER . 4.0 Cg_exo -41.56 -66.65 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 1 C-N-CA 125.589 4.193 . . . . 79.46 113.883 -176.985 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -54.34 -34.55 61.33 Favored 'General case' 0 C--O 1.263 1.789 0 C-N-CA 126.853 2.061 . . . . 89.12 115.333 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 108.689 -0.856 . . . . 77.25 108.689 -179.78 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' LEU . . . -32.17 -53.37 0.29 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 112.712 -2.04 . . . . 78.48 108.245 -177.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SER . . . . . 0.52 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 99.6 p -84.32 -23.25 30.34 Favored 'General case' 0 C--O 1.27 2.183 0 N-CA-C 119.832 3.271 . . . . 81.28 119.832 -174.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . . . -90.58 -5.07 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 116.483 -1.722 . . . . 65.06 114.192 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.735 HG22 HD12 ' A' ' 71' ' ' ILE . 74.3 t -119.35 128.14 75.85 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 N-CA-C 117.361 2.356 . . . . 54.86 117.361 -170.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . 0.285 49.5 t0 -89.78 -85.73 0.2 Allowed 'General case' 0 C--O 1.245 0.822 0 CA-C-O 122.719 1.247 . . . . 43.59 110.799 -179.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' MET . . . . . 0.773 ' HE1' ' O ' ' A' ' 240' ' ' HOH . 0.3 OUTLIER -104.33 151.97 22.81 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 113.798 -1.546 . . . . 48.85 107.373 -176.835 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.34 124.18 63.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 126.256 2.222 . . . . 34.23 109.903 174.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -120.85 127.89 52.32 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 126.359 2.287 . . . . 38.22 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.681 HG23 HG12 ' A' ' 120' ' ' VAL . 36.3 mm -92.72 115.96 32.75 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 127.133 2.173 . . . . 26.21 106.028 173.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.289 16.8 m -109.17 15.72 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.107 0 O-C-N 126.556 2.41 . . . . 27.8 116.593 -178.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 52' ' ' MET . . . 93.98 -176.74 36.35 Favored Glycine 0 C--O 1.267 2.172 0 O-C-N 126.775 2.547 . . . . 29.72 114.221 172.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.8 -155.08 24.89 Favored Glycine 0 N--CA 1.436 -1.328 1 C-N-CA 130.973 4.13 . . . . 23.55 114.243 5.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.0 m -39.87 -60.54 0.99 Allowed 'General case' 0 C--O 1.249 1.029 0 C-N-CA 126.561 1.944 . . . . 33.29 113.738 -176.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.39 91.3 Favored 'General case' 0 C--O 1.252 1.198 0 C-N-CA 123.382 0.673 . . . . 30.27 111.677 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.681 HG12 HG23 ' A' ' 114' ' ' ILE . 63.9 t -61.52 -51.49 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 C-N-CA 118.532 -1.267 . . . . 31.21 110.828 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -52.63 -51.53 59.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.419 0.628 . . . . 28.86 109.798 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.06 -50.56 68.81 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 123.138 1.447 . . . . 71.83 112.954 -175.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.38 64.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 112.201 -2.272 . . . . 38.25 109.111 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.74 85.6 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.21 1.569 . . . . 36.36 109.826 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . 0.438 56.0 mtm -57.88 -45.78 85.84 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-O 122.222 1.011 . . . . 50.94 113.432 -177.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.28 -22.98 62.8 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 116.507 2.04 . . . . 62.69 116.507 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -62.26 134.6 94.76 Favored Pre-proline 0 N--CA 1.486 1.331 0 N-CA-C 105.28 -2.119 . . . . 49.75 105.28 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.39 66.51 5.87 Favored 'Trans proline' 0 C--N 1.326 -0.642 0 O-C-N 125.19 2.153 . . . . 50.23 107.293 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.894 ' CD1' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.96 156.58 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 112.56 -2.109 . . . . 53.48 106.143 176.357 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.74 ' O ' HG12 ' A' ' 129' ' ' ILE 0.258 2.9 m120 -57.05 135.91 56.32 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 128.51 3.631 . . . . 64.98 103.82 175.716 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -158.6 137.66 11.4 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 112.67 -2.059 . . . . 38.17 110.451 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -125.32 130.76 52.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.153 -1.839 . . . . 81.26 108.111 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 58.8 tp -115.43 120.26 38.97 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 127.237 2.836 . . . . 31.34 107.981 -174.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -104.01 108.36 19.67 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 126.693 2.496 . . . . 33.1 106.609 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.52 133.28 58.78 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 125.064 1.478 . . . . 34.06 111.926 -178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.5 m -102.44 110.82 22.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 114.168 -2.825 . . . . 27.19 105.678 169.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 137' ' ' ARG . 5.4 mtt180 -88.68 108.18 19.33 Favored 'General case' 0 C--O 1.265 1.896 0 O-C-N 126.97 2.669 . . . . 56.42 111.314 175.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 20.5 mt -85.44 111.84 21.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.08 2.112 . . . . 31.87 106.577 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.622 ' C ' ' CD2' ' A' ' 140' ' ' HIS . 21.9 mt -71.83 39.78 0.07 Allowed 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 124.935 1.294 . . . . 46.32 114.447 -172.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.622 ' CD2' ' C ' ' A' ' 139' ' ' LEU . 8.5 m-70 -141.56 163.03 34.02 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-O 122.624 1.202 . . . . 75.56 110.957 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.925 ' HB3' ' CE2' ' A' ' 201' ' ' MBO . . . -102.67 102.87 13.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.743 -1.572 . . . . 63.03 108.364 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -112.0 143.23 43.35 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 100.758 -3.793 . . . . 50.31 100.758 173.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -68.02 133.71 49.48 Favored 'General case' 0 N--CA 1.486 1.332 1 O-C-N 130.516 4.885 . . . . 91.65 109.866 176.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.5 m -132.54 150.84 52.09 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 111.481 -2.599 . . . . 33.36 108.081 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -117.33 -0.7 11.94 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 126.47 2.356 . . . . 41.22 107.342 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 m -135.21 141.97 45.94 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.962 -1.125 . . . . 32.1 107.962 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 147' ' ' PHE . 9.6 m-85 -133.06 157.9 44.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 124.759 2.218 . . . . 37.99 116.206 -173.798 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -80.5 134.2 55.01 Favored Pre-proline 0 N--CA 1.472 0.646 1 CA-C-N 108.325 -4.034 . . . . 31.66 104.376 -179.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -52.62 160.98 3.26 Favored 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 126.343 2.76 . . . . 34.0 109.764 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.71 130.59 38.93 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.333 1.453 . . . . 65.78 107.43 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.426 HG21 HD13 ' A' ' 151' ' ' ILE . 0.2 OUTLIER -96.65 135.77 29.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 124.967 1.417 . . . . 45.26 109.614 -179.853 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.447 ' OD1' ' HE2' ' A' ' 154' ' ' LYS 0.372 54.1 t0 -78.72 95.43 5.31 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.038 1.335 . . . . 41.42 111.491 177.088 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -57.41 -13.24 3.24 Favored 'General case' 0 C--O 1.268 2.038 0 O-C-N 125.802 1.939 . . . . 44.63 112.578 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.447 ' HE2' ' OD1' ' A' ' 152' ' ' ASP . 0.0 OUTLIER -84.66 -30.4 24.9 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 125.39 1.681 . . . . 53.03 109.735 176.622 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -90.57 -49.9 6.23 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.069 -0.968 . . . . 66.16 112.968 -178.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.62 110.02 20.93 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 117.702 -1.142 . . . . 43.74 110.529 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 182' ' ' TYR . 51.7 mmtt -94.93 135.53 36.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 125.067 1.479 . . . . 74.75 108.072 176.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . 0.268 8.3 tp -74.28 122.14 22.39 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 127.106 2.754 . . . . 42.15 106.415 179.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.1 mt -77.68 145.7 36.47 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 127.309 2.881 . . . . 50.16 106.255 175.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 30.1 p -83.69 -27.31 29.12 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 125.743 1.902 . . . . 57.84 108.929 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.836 ' HG2' ' N ' ' A' ' 162' ' ' TYR . 4.4 tt0 -148.65 155.13 40.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 118.437 0.562 . . . . 88.07 111.303 175.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.836 ' N ' ' HG2' ' A' ' 161' ' ' GLU . 43.3 t80 -158.95 134.05 5.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 107.156 -1.424 . . . . 54.77 107.156 177.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 162' ' ' TYR . 9.6 Cg_endo -47.89 109.15 0.21 Allowed 'Trans proline' 0 C--O 1.271 2.152 0 C-N-CA 124.716 3.611 . . . . 59.58 118.992 177.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.09 20.25 50.27 Favored Glycine 0 C--O 1.26 1.735 0 CA-C-N 114.216 -1.356 . . . . 73.81 113.542 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 166' ' ' PRO . 28.5 t -123.22 105.17 34.33 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 106.002 -1.851 . . . . 59.8 106.002 176.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 165' ' ' VAL . 2.5 Cg_endo -47.51 148.43 5.43 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 O-C-N 126.459 2.821 . . . . 51.2 105.169 179.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -106.02 -19.08 13.84 Favored 'General case' 0 C--O 1.261 1.681 0 CA-C-N 119.324 0.966 . . . . 55.0 113.25 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.24 160.42 27.94 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 108.221 -1.029 . . . . 85.31 108.221 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.4 129.5 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 O-C-N 127.014 2.696 . . . . 49.37 107.448 168.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -103.23 170.2 8.09 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 106.575 -1.639 . . . . 58.59 106.575 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -151.85 145.47 24.95 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 125.37 1.468 . . . . 68.74 109.431 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.671 ' OE1' ' HB2' ' A' ' 29' ' ' ASN . 12.5 tt0 -169.06 137.33 1.98 Allowed 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 104.058 -2.571 . . . . 56.39 104.058 -178.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 51.16 36.33 15.44 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 114.575 -2.631 . . . . 45.97 111.396 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 78.38 4.1 86.66 Favored Glycine 0 C--N 1.266 -3.336 0 O-C-N 126.688 2.492 . . . . 34.75 114.062 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . 0.326 38.3 mm -112.0 142.64 23.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 105.368 -2.086 . . . . 36.82 105.368 -173.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -108.34 157.89 17.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 117.188 -1.805 . . . . 39.24 107.179 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -154.87 167.58 29.81 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 126.214 2.196 . . . . 50.99 108.713 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.546 ' NZ ' ' OE2' ' A' ' 180' ' ' GLU . 7.9 pttt -137.63 147.37 44.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 125.914 2.009 . . . . 65.93 110.247 177.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -97.28 136.46 37.73 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.262 -1.755 . . . . 39.48 106.262 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.546 ' OE2' ' NZ ' ' A' ' 178' ' ' LYS . 78.6 mt-10 -138.93 146.33 40.91 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 127.861 3.226 . . . . 50.0 109.036 -178.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.23 122.29 48.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 O-C-N 125.715 1.884 . . . . 32.9 107.944 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 157' ' ' LYS . 40.7 m-85 -111.99 151.65 29.04 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 105.14 -2.171 . . . . 35.64 105.14 176.274 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -136.5 129.09 30.49 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 126.026 2.079 . . . . 63.48 113.079 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -110.12 129.58 55.68 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 127.806 3.191 . . . . 48.5 107.4 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 3.9 m -117.0 123.84 47.88 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 127.346 2.904 . . . . 66.25 111.963 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.443 HG21 ' CA ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.265 1.917 0 CA-C-O 114.402 -2.713 . . . . 81.72 107.656 176.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' NAP . . . . . 0.72 ' H2N' ' O ' ' A' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' MBO . . . . . 1.243 ' HE2' ' CE3' ' A' ' 201' ' ' MBO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . 0.773 ' O ' ' HE1' ' A' ' 111' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 295' ' ' HOH . . . . . 0.822 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' HOH . . . . . 0.659 ' O ' ' HD2' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . 0.466 ' O ' ' HE2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 653' ' ' HOH . . . . . 0.55 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_