data_4oxm_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 4oxm _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 ' 41' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 73.459999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.43 -7.47 55.06 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 128.024 3.327 . . . . 48.07 116.044 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.95 96.64 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 119.715 1.143 . . . . 43.75 113.801 -163.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m -67.71 -43.3 80.35 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 122.598 0.359 . . . . 59.579999999999998 111.019 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.86 -43.28 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.163 0.506 . . . . 42.799999999999997 111.32 177.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.74 -39.27 90.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.649 0.738 . . . . 36.090000000000003 112.555 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.39 -42.32 79.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.932 0.715 . . . . 69.140000000000001 112.932 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.7 mt -66.56 -41.88 89.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 CA-C-O 121.618 0.723 . . . . 39.600000000000001 111.611 175.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -59.69 -44.27 93.72 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 114.274 1.212 . . . . 40.759999999999998 114.274 175.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.3 -46.49 92.84 Favored Glycine 0 C--O 1.222 -0.628 0 O-C-N 124.293 0.996 . . . . 27.890000000000001 110.694 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 117' ' ' HOH . 9.8 ttmt -66.33 -44.96 81.87 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.641 -0.329 . . . . 49.479999999999997 110.827 -178.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.72 -41.86 91.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.165 0.802 . . . . 36.380000000000003 113.165 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.62 -38.59 85.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.794 1.035 . . . . 41.600000000000001 113.794 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.26 -37.44 77.91 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.119 -0.326 . . . . 31.73 110.119 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.56 -47.81 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 -0.105 . . . . 33.219999999999999 110.935 174.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.55 -41.13 78.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 122.767 0.427 . . . . 41.0 111.965 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.47 -44.69 86.36 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.108 0.48 . . . . 72.840000000000003 111.235 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' NZ ' ' OE2' ' C' ' 67' ' ' GLU . 4.5 tptp -59.37 -41.92 90.43 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.897 -0.592 . . . . 66.810000000000002 110.954 176.6 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -38.14 89.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.067 1.136 . . . . 35.140000000000001 114.067 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -62.81 -39.29 93.84 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.612 -0.835 . . . . 67.579999999999998 110.964 172.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.15 -49.5 77.37 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.902 0.319 . . . . 72.340000000000003 110.736 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 tt -62.3 -37.91 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 112.387 0.514 . . . . 46.780000000000001 112.387 -177.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -61.99 -37.4 84.66 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 119.65 -0.82 . . . . 75.969999999999999 112.731 175.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -62.17 -44.37 96.76 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 119.935 -0.706 . . . . 68.25 111.148 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -63.63 -38.54 91.49 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.02 0.438 . . . . 75.739999999999995 111.497 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -60.52 -43.95 96.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.876 -0.515 . . . . 68.790000000000006 112.324 174.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -56.47 -47.32 79.46 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.674 0.75 . . . . 59.920000000000002 111.389 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.19 -43.64 97.61 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.754 1.02 . . . . 60.479999999999997 113.754 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -61.88 -41.6 91.43 Favored 'Isoleucine or valine' 0 C--O 1.265 1.894 0 N-CA-C 113.246 0.832 . . . . 41.409999999999997 113.246 175.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.74 -43.58 85.47 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 116.126 -0.488 . . . . 74.290000000000006 110.969 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.45 -40.79 87.12 Favored Glycine 0 C--O 1.258 1.638 0 CA-C-N 116.231 -0.44 . . . . 32.840000000000003 112.794 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -70.94 -37.86 72.85 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 111.833 0.308 . . . . 34.43 111.833 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.83 -47.23 91.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 109.408 -0.59 . . . . 39.399999999999999 109.408 175.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -51.21 -47.37 62.3 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 122.022 0.915 . . . . 69.920000000000002 112.283 175.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.86 -39.18 84.35 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.854 1.057 . . . . 40.689999999999998 113.854 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.68 -36.92 76.42 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.657 0.783 . . . . 30.879999999999999 111.469 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.1 -38.31 75.62 Favored 'General case' 0 C--O 1.27 2.132 0 N-CA-C 112.796 0.665 . . . . 40.659999999999997 112.796 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -78.8 -47.94 15.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 114.791 1.404 . . . . 73.579999999999998 114.791 -178.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -107.02 -22.39 12.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 116.041 -1.933 . . . . 42.369999999999997 113.157 -173.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.965 1 CA-C-N 126.596 4.271 . . . . 30.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.675 0 N-CA-C 109.063 -1.615 . . . . 70.510000000000005 109.063 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.8 m -68.75 -63.33 1.08 Allowed 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 115.917 1.821 . . . . 67.159999999999997 115.917 -163.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 mt -52.93 -33.53 19.37 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.193 0 CA-C-N 120.317 1.417 . . . . 89.359999999999999 111.612 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.55 -39.36 81.1 Favored 'General case' 0 N--CA 1.422 -1.858 0 O-C-N 123.85 0.719 . . . . 85.159999999999997 112.689 172.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -37.15 71.57 Favored 'General case' 0 C--O 1.164 -3.396 0 CA-C-N 119.31 0.959 . . . . 98.989999999999995 110.024 -178.34 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mt -63.54 -49.73 81.3 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.812 0 O-C-N 124.175 0.922 . . . . 58.109999999999999 110.477 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -54.52 -42.98 71.49 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 113.934 1.087 . . . . 59.759999999999998 113.934 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.45 -46.72 93.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.533 -0.842 . . . . 45.759999999999998 111.043 176.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -67.11 -41.36 86.38 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.568 0.223 . . . . 56.710000000000001 110.604 -177.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.3 -46.03 86.86 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.63 0.729 . . . . 40.649999999999999 112.432 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.08 -35.07 74.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.894 0.702 . . . . 59.859999999999999 112.894 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 93.6 mtm-85 -70.26 -38.97 75.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 123.447 0.467 . . . . 84.420000000000002 111.116 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.95 -45.43 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 O-C-N 123.218 0.324 . . . . 39.670000000000002 110.718 174.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.38 -45.43 96.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.103 0 O-C-N 122.889 0.118 . . . . 44.759999999999998 110.738 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.4 -46.26 89.4 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.884 0.74 . . . . 84.180000000000007 110.022 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -58.74 -44.99 90.67 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.191 -0.459 . . . . 65.75 109.787 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.08 -44.02 91.87 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 119.657 -0.817 . . . . 47.18 112.521 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -59.73 -39.96 86.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.043 -1.063 . . . . 51.789999999999999 111.401 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -57.63 -48.25 79.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.349 0.406 . . . . 78.0 110.317 174.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.52 -47.29 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-N 116.0 -0.546 . . . . 41.390000000000001 111.697 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.57 -42.21 78.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 119.55 -0.262 . . . . 60.060000000000002 110.884 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -68.39 -42.7 78.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.626 0.579 . . . . 73.659999999999997 110.938 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.4 -46.91 86.48 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.714 -0.847 . . . . 91.099999999999994 108.714 -179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.78 -44.63 93.81 Favored 'General case' 0 N--CA 1.436 -1.144 0 O-C-N 123.873 0.733 . . . . 57.039999999999999 111.939 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -60.26 -41.86 94.13 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.13 0.419 . . . . 58.770000000000003 112.13 176.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.57 -42.93 95.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.788 0.662 . . . . 73.219999999999999 112.788 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.46 -49.79 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 122.902 0.481 . . . . 44.479999999999997 110.007 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.3 -40.31 93.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.47 0.176 . . . . 84.269999999999996 111.429 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.59 -37.55 93.58 Favored Glycine 0 C--O 1.238 0.397 0 C-N-CA 120.93 -0.653 . . . . 45.409999999999997 112.955 176.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -69.35 -39.33 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 118.981 -1.088 . . . . 51.240000000000002 110.777 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.4 -47.49 91.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.071 -0.714 . . . . 48.130000000000003 109.071 178.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -50.89 -51.68 49.44 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.439 -0.346 . . . . 82.379999999999995 110.83 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.1 -43.25 73.85 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.961 0.726 . . . . 82.159999999999997 112.961 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.74 -36.53 83.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 122.103 -0.373 . . . . 51.890000000000001 111.175 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.03 -35.73 82.1 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 114.545 1.313 . . . . 62.07 114.545 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' B' ' 84' ' ' NH2 . 6.6 mtmt -93.57 -70.14 0.72 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 120.285 -0.566 . . . . 116.09999999999999 110.549 -178.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 82' ' ' LYS . 65.5 m-85 -57.9 -2.48 0.16 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 112.988 -3.485 . . . . 93.629999999999995 111.879 -172.783 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' NH2 . . . . . 0.574 ' N ' ' O ' ' B' ' 82' ' ' LYS . . . . . . . . 1 C--N 1.234 -4.426 0 O-C-N 117.165 -3.459 . . . . 69.159999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.33 . . . . . . . . 83.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -61.87 130.37 45.34 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 121.183 -0.948 . . . . 72.769999999999996 110.006 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.75 -27.5 11.3 Favored Glycine 0 C--O 1.198 -2.121 0 N-CA-C 117.649 1.82 . . . . 68.390000000000001 117.649 -173.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -120.55 152.53 37.96 Favored 'General case' 0 C--O 1.172 -3.017 0 N-CA-C 112.427 0.528 . . . . 48.090000000000003 112.427 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 1.2 pp -52.09 -44.58 40.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-N 114.452 -1.249 . . . . 72.329999999999998 111.788 169.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.13 -44.96 92.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 87.989999999999995 110.039 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.7 -41.51 83.47 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 113.886 1.069 . . . . 45.409999999999997 113.886 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 34.3 mt -59.25 -45.8 92.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.709 -0.849 . . . . 44.539999999999999 108.709 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -62.53 -39.06 92.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.6 0.963 . . . . 42.579999999999998 113.6 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.06 96.64 Favored Glycine 0 C--N 1.343 0.956 0 N-CA-C 111.472 -0.651 . . . . 38.200000000000003 111.472 175.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -43.38 81.51 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.112 0.958 . . . . 78.450000000000003 110.7 -179.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.685 -0.689 . . . . 44.200000000000003 112.162 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.99 -36.26 72.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.589 0.959 . . . . 40.289999999999999 113.589 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -67.64 -40.5 84.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.102 0.477 . . . . 55.109999999999999 111.171 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -44.91 99.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.855 -0.611 . . . . 39.920000000000002 110.35 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.61 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.038 -0.528 . . . . 35.130000000000003 111.139 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -63.67 -45.59 89.45 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 122.973 0.509 . . . . 86.010000000000005 110.322 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -64.91 -43.35 93.1 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 112.72 0.637 . . . . 71.379999999999995 112.72 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.52 -42.46 82.88 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 112.928 0.714 . . . . 41.869999999999997 112.928 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.2 -43.42 52.58 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 109.202 -0.666 . . . . 53.789999999999999 109.202 175.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -70.24 -39.18 75.19 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.859 1.059 . . . . 64.689999999999998 113.859 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.58 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 O-C-N 122.024 -0.422 . . . . 58.520000000000003 111.229 176.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' GLU . . . . . 0.541 ' OE2' ' NZ ' ' A' ' 58' ' ' LYS . 44.2 mt-10 -56.8 -43.96 81.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 123.686 0.616 . . . . 54.619999999999997 112.283 176.655 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -62.63 -45.39 93.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.175 -0.466 . . . . 92.340000000000003 110.191 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -64.8 -38.8 92.2 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.602 0.593 . . . . 73.569999999999993 112.602 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -60.8 -44.13 97.23 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.774 0.672 . . . . 56.200000000000003 112.281 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -56.07 -48.18 76.57 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.309 0.381 . . . . 65.019999999999996 110.383 174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -41.2 96.4 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.512 0.93 . . . . 87.120000000000005 113.512 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 t -61.68 -45.29 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.873 0.368 . . . . 42.829999999999998 111.024 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.74 -43.14 90.13 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.759 -0.588 . . . . 41.490000000000002 110.151 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.8 71.23 Favored Glycine 0 N--CA 1.466 0.637 0 CA-C-O 121.134 0.297 . . . . 36.82 112.882 173.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -68.05 -31.36 70.95 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.657 0.742 . . . . 57.380000000000003 112.981 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' ILE . . . . . . . . . . . . . 99.0 mt -67.53 -44.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.792 -0.64 . . . . 37.329999999999998 110.799 172.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -53.18 -50.04 65.44 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.533 0.521 . . . . 39.909999999999997 111.121 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -55.84 -42.67 76.11 Favored 'General case' 0 C--O 1.25 1.106 0 N-CA-C 113.752 1.019 . . . . 57.32 113.752 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.87 -37.59 84.7 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 122.988 0.515 . . . . 44.590000000000003 110.894 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -68.1 -42.22 80.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 110.334 -0.247 . . . . 42.549999999999997 110.334 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' C' ' 83' ' ' TYR . 0.0 OUTLIER -64.29 -38.18 90.14 Favored 'General case' 0 CA--C 1.464 -2.364 0 C-N-CA 127.846 2.458 . . . . 87.390000000000001 107.616 -175.863 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' C' ' 82' ' ' LYS . 0.0 OUTLIER 97.73 -8.46 0.06 Allowed 'General case' 0 C--O 1.269 2.13 0 CA-C-N 112.781 -2.009 . . . . 100.22 105.9 171.149 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' NH2 . . . . . 0.414 ' N ' ' CD ' ' C' ' 82' ' ' LYS . . . . . . . . 0 C--N 1.289 -2.064 0 CA-C-N 119.41 1.005 . . . . 66.590000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . 0.42 ' O ' ' CE ' ' A' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 73.459999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.43 -7.47 55.06 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 128.024 3.327 . . . . 48.07 116.044 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.95 96.64 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 119.715 1.143 . . . . 43.75 113.801 -163.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m -67.71 -43.3 80.35 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 122.598 0.359 . . . . 59.579999999999998 111.019 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . 0.419 HG23 HD11 ' B' ' 48' ' ' ILE . 54.5 mt -60.86 -43.28 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.163 0.506 . . . . 42.799999999999997 111.32 177.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.74 -39.27 90.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.649 0.738 . . . . 36.090000000000003 112.555 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.39 -42.32 79.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.932 0.715 . . . . 69.140000000000001 112.932 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.7 mt -66.56 -41.88 89.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 CA-C-O 121.618 0.723 . . . . 39.600000000000001 111.611 175.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -59.69 -44.27 93.72 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 114.274 1.212 . . . . 40.759999999999998 114.274 175.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.3 -46.49 92.84 Favored Glycine 0 C--O 1.222 -0.628 0 O-C-N 124.293 0.996 . . . . 27.890000000000001 110.694 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 117' ' ' HOH . 9.8 ttmt -66.33 -44.96 81.87 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.641 -0.329 . . . . 49.479999999999997 110.827 -178.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.72 -41.86 91.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.165 0.802 . . . . 36.380000000000003 113.165 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.62 -38.59 85.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.794 1.035 . . . . 41.600000000000001 113.794 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.26 -37.44 77.91 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.119 -0.326 . . . . 31.73 110.119 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.56 -47.81 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 -0.105 . . . . 33.219999999999999 110.935 174.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.55 -41.13 78.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 122.767 0.427 . . . . 41.0 111.965 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.47 -44.69 86.36 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.108 0.48 . . . . 72.840000000000003 111.235 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' NZ ' ' OE2' ' C' ' 67' ' ' GLU . 4.5 tptp -59.37 -41.92 90.43 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.897 -0.592 . . . . 66.810000000000002 110.954 176.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -38.14 89.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.067 1.136 . . . . 35.140000000000001 114.067 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -62.81 -39.29 93.84 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.612 -0.835 . . . . 67.579999999999998 110.964 172.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.15 -49.5 77.37 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.902 0.319 . . . . 72.340000000000003 110.736 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 tt -62.3 -37.91 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 112.387 0.514 . . . . 46.780000000000001 112.387 -177.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -61.99 -37.4 84.66 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 119.65 -0.82 . . . . 75.969999999999999 112.731 175.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -62.17 -44.37 96.76 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 119.935 -0.706 . . . . 68.25 111.148 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -63.63 -38.54 91.49 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.02 0.438 . . . . 75.739999999999995 111.497 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -60.52 -43.95 96.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.876 -0.515 . . . . 68.790000000000006 112.324 174.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -56.47 -47.32 79.46 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.674 0.75 . . . . 59.920000000000002 111.389 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.19 -43.64 97.61 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.754 1.02 . . . . 60.479999999999997 113.754 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -61.88 -41.6 91.43 Favored 'Isoleucine or valine' 0 C--O 1.265 1.894 0 N-CA-C 113.246 0.832 . . . . 41.409999999999997 113.246 175.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CD ' HH12 ' B' ' 76' ' ' ARG . 1.3 tp10 -57.74 -43.58 85.47 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 116.126 -0.488 . . . . 74.290000000000006 110.969 175.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.45 -40.79 87.12 Favored Glycine 0 C--O 1.258 1.638 0 CA-C-N 116.231 -0.44 . . . . 32.840000000000003 112.794 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -70.94 -37.86 72.85 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 111.833 0.308 . . . . 34.43 111.833 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' CD1' HD11 ' B' ' 77' ' ' ILE . 97.0 mt -63.83 -47.23 91.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 109.408 -0.59 . . . . 39.399999999999999 109.408 175.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -51.21 -47.37 62.3 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 122.022 0.915 . . . . 69.920000000000002 112.283 175.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.86 -39.18 84.35 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.854 1.057 . . . . 40.689999999999998 113.854 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.68 -36.92 76.42 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.657 0.783 . . . . 30.879999999999999 111.469 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.1 -38.31 75.62 Favored 'General case' 0 C--O 1.27 2.132 0 N-CA-C 112.796 0.665 . . . . 40.659999999999997 112.796 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -78.8 -47.94 15.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 114.791 1.404 . . . . 73.579999999999998 114.791 -178.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -107.02 -22.39 12.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 116.041 -1.933 . . . . 42.369999999999997 113.157 -173.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.965 1 CA-C-N 126.596 4.271 . . . . 30.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.675 0 N-CA-C 109.063 -1.615 . . . . 70.510000000000005 109.063 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 45.8 m -68.75 -63.33 1.08 Allowed 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 115.917 1.821 . . . . 67.159999999999997 115.917 -163.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 mt -52.93 -33.53 19.37 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.193 0 CA-C-N 120.317 1.417 . . . . 89.359999999999999 111.612 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.55 -39.36 81.1 Favored 'General case' 0 N--CA 1.422 -1.858 0 O-C-N 123.85 0.719 . . . . 85.159999999999997 112.689 172.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' B' ' 44' ' ' SER . 0.0 OUTLIER -71.39 -37.15 71.57 Favored 'General case' 0 C--O 1.164 -3.396 0 CA-C-N 119.31 0.959 . . . . 98.989999999999995 110.024 -178.34 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 45' ' ' ILE . 49.3 mt -63.54 -49.73 81.3 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.812 0 O-C-N 124.175 0.922 . . . . 58.109999999999999 110.477 177.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -54.52 -42.98 71.49 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 113.934 1.087 . . . . 59.759999999999998 113.934 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.45 -46.72 93.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.533 -0.842 . . . . 45.759999999999998 111.043 176.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -67.11 -41.36 86.38 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.568 0.223 . . . . 56.710000000000001 110.604 -177.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LEU . . . . . 0.729 HD22 HG23 ' C' ' 48' ' ' ILE . 26.5 tp -58.3 -46.03 86.86 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.63 0.729 . . . . 40.649999999999999 112.432 172.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.08 -35.07 74.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.894 0.702 . . . . 59.859999999999999 112.894 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 93.6 mtm-85 -70.26 -38.97 75.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 123.447 0.467 . . . . 84.420000000000002 111.116 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.95 -45.43 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 O-C-N 123.218 0.324 . . . . 39.670000000000002 110.718 174.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.38 -45.43 96.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.103 0 O-C-N 122.889 0.118 . . . . 44.759999999999998 110.738 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.4 -46.26 89.4 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.884 0.74 . . . . 84.180000000000007 110.022 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' B' ' 58' ' ' LYS . 6.4 tppt? -58.74 -44.99 90.67 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.191 -0.459 . . . . 65.75 109.787 177.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.08 -44.02 91.87 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 119.657 -0.817 . . . . 47.18 112.521 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -59.73 -39.96 86.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.043 -1.063 . . . . 51.789999999999999 111.401 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -57.63 -48.25 79.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.349 0.406 . . . . 78.0 110.317 174.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.52 -47.29 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-N 116.0 -0.546 . . . . 41.390000000000001 111.697 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.57 -42.21 78.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 119.55 -0.262 . . . . 60.060000000000002 110.884 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -68.39 -42.7 78.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.626 0.579 . . . . 73.659999999999997 110.938 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.4 -46.91 86.48 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.714 -0.847 . . . . 91.099999999999994 108.714 -179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' C' ' 69' ' ' GLU . 30.5 t80 -59.78 -44.63 93.81 Favored 'General case' 0 N--CA 1.436 -1.144 0 O-C-N 123.873 0.733 . . . . 57.039999999999999 111.939 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -60.26 -41.86 94.13 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.13 0.419 . . . . 58.770000000000003 112.13 176.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.57 -42.93 95.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.788 0.662 . . . . 73.219999999999999 112.788 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.46 -49.79 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 122.902 0.481 . . . . 44.479999999999997 110.007 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.3 -40.31 93.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.47 0.176 . . . . 84.269999999999996 111.429 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.59 -37.55 93.58 Favored Glycine 0 C--O 1.238 0.397 0 C-N-CA 120.93 -0.653 . . . . 45.409999999999997 112.955 176.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ARG . . . . . 0.459 HH12 ' CD ' ' A' ' 74' ' ' GLU . 64.1 mtp180 -69.35 -39.33 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 118.981 -1.088 . . . . 51.240000000000002 110.777 178.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ILE . . . . . 0.435 HD11 ' CD1' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -63.4 -47.49 91.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.071 -0.714 . . . . 48.130000000000003 109.071 178.878 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -50.89 -51.68 49.44 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.439 -0.346 . . . . 82.379999999999995 110.83 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.1 -43.25 73.85 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.961 0.726 . . . . 82.159999999999997 112.961 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.74 -36.53 83.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 122.103 -0.373 . . . . 51.890000000000001 111.175 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.03 -35.73 82.1 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 114.545 1.313 . . . . 62.07 114.545 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' B' ' 84' ' ' NH2 . 6.6 mtmt -93.57 -70.14 0.72 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 120.285 -0.566 . . . . 116.09999999999999 110.549 -178.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 82' ' ' LYS . 65.5 m-85 -57.9 -2.48 0.16 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 112.988 -3.485 . . . . 93.629999999999995 111.879 -172.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' NH2 . . . . . 0.574 ' N ' ' O ' ' B' ' 82' ' ' LYS . . . . . . . . 1 C--N 1.234 -4.426 0 O-C-N 117.165 -3.459 . . . . 69.159999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 41' ' ' ACE . . . . . 0.452 ' H2 ' ' C ' ' C' ' 42' ' ' TRP . . . . . . . . 0 C--O 1.223 -0.33 . . . . . . . . 83.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' TRP . . . . . 0.452 ' C ' ' H2 ' ' C' ' 41' ' ' ACE . 24.3 m-90 -61.87 130.37 45.34 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 121.183 -0.948 . . . . 72.769999999999996 110.006 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.75 -27.5 11.3 Favored Glycine 0 C--O 1.198 -2.121 0 N-CA-C 117.649 1.82 . . . . 68.390000000000001 117.649 -173.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -120.55 152.53 37.96 Favored 'General case' 0 C--O 1.172 -3.017 0 N-CA-C 112.427 0.528 . . . . 48.090000000000003 112.427 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 1.2 pp -52.09 -44.58 40.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-N 114.452 -1.249 . . . . 72.329999999999998 111.788 169.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.13 -44.96 92.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 87.989999999999995 110.039 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.7 -41.51 83.47 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 113.886 1.069 . . . . 45.409999999999997 113.886 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ILE . . . . . 0.729 HG23 HD22 ' B' ' 52' ' ' LEU . 34.3 mt -59.25 -45.8 92.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.709 -0.849 . . . . 44.539999999999999 108.709 175.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -62.53 -39.06 92.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.6 0.963 . . . . 42.579999999999998 113.6 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.06 96.64 Favored Glycine 0 C--N 1.343 0.956 0 N-CA-C 111.472 -0.651 . . . . 38.200000000000003 111.472 175.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' C' ' 114' ' ' HOH . 0.0 OUTLIER -67.38 -43.38 81.51 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.112 0.958 . . . . 78.450000000000003 110.7 -179.089 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.685 -0.689 . . . . 44.200000000000003 112.162 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.99 -36.26 72.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.589 0.959 . . . . 40.289999999999999 113.589 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -67.64 -40.5 84.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.102 0.477 . . . . 55.109999999999999 111.171 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -44.91 99.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.855 -0.611 . . . . 39.920000000000002 110.35 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.61 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.038 -0.528 . . . . 35.130000000000003 111.139 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -63.67 -45.59 89.45 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 122.973 0.509 . . . . 86.010000000000005 110.322 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -64.91 -43.35 93.1 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 112.72 0.637 . . . . 71.379999999999995 112.72 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.52 -42.46 82.88 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 112.928 0.714 . . . . 41.869999999999997 112.928 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.2 -43.42 52.58 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 109.202 -0.666 . . . . 53.789999999999999 109.202 175.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -70.24 -39.18 75.19 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.859 1.059 . . . . 64.689999999999998 113.859 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.58 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 O-C-N 122.024 -0.422 . . . . 58.520000000000003 111.229 176.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' GLU . . . . . 0.521 ' OE2' ' NZ ' ' A' ' 58' ' ' LYS . 44.2 mt-10 -56.8 -43.96 81.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 123.686 0.616 . . . . 54.619999999999997 112.283 176.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -62.63 -45.39 93.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.175 -0.466 . . . . 92.340000000000003 110.191 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 69' ' ' GLU . . . . . 0.465 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 48.1 mt-10 -64.8 -38.8 92.2 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.602 0.593 . . . . 73.569999999999993 112.602 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -60.8 -44.13 97.23 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.774 0.672 . . . . 56.200000000000003 112.281 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -56.07 -48.18 76.57 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.309 0.381 . . . . 65.019999999999996 110.383 174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -41.2 96.4 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.512 0.93 . . . . 87.120000000000005 113.512 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 t -61.68 -45.29 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.873 0.368 . . . . 42.829999999999998 111.024 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.74 -43.14 90.13 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.759 -0.588 . . . . 41.490000000000002 110.151 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.8 71.23 Favored Glycine 0 N--CA 1.466 0.637 0 CA-C-O 121.134 0.297 . . . . 36.82 112.882 173.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -68.05 -31.36 70.95 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.657 0.742 . . . . 57.380000000000003 112.981 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 77' ' ' ILE . . . . . . . . . . . . . 99.0 mt -67.53 -44.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.792 -0.64 . . . . 37.329999999999998 110.799 172.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -53.18 -50.04 65.44 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.533 0.521 . . . . 39.909999999999997 111.121 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -55.84 -42.67 76.11 Favored 'General case' 0 C--O 1.25 1.106 0 N-CA-C 113.752 1.019 . . . . 57.32 113.752 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.87 -37.59 84.7 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 122.988 0.515 . . . . 44.590000000000003 110.894 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -68.1 -42.22 80.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 110.334 -0.247 . . . . 42.549999999999997 110.334 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 82' ' ' LYS . . . . . 0.817 ' HD3' ' N ' ' C' ' 84' ' ' NH2 . 0.0 OUTLIER -64.29 -38.18 90.14 Favored 'General case' 0 CA--C 1.464 -2.364 0 C-N-CA 127.846 2.458 . . . . 87.390000000000001 107.616 -175.863 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 83' ' ' TYR . . . . . 0.77 ' HB2' ' O ' ' C' ' 82' ' ' LYS . 0.0 OUTLIER 97.73 -8.46 0.06 Allowed 'General case' 0 C--O 1.269 2.13 0 CA-C-N 112.781 -2.009 . . . . 100.22 105.9 171.149 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 84' ' ' NH2 . . . . . 0.817 ' N ' ' HD3' ' C' ' 82' ' ' LYS . . . . . . . . 0 C--N 1.289 -2.064 0 CA-C-N 119.41 1.005 . . . . 66.590000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . 0.42 ' O ' ' CE ' ' A' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' HOH . . . . . 0.467 ' O ' ' HD3' ' C' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 73.459999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.43 -7.47 55.06 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 128.024 3.327 . . . . 48.07 116.044 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.95 96.64 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 119.715 1.143 . . . . 43.75 113.801 -163.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m -67.71 -43.3 80.35 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 122.598 0.359 . . . . 59.579999999999998 111.019 178.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.419 HG23 HD11 ' B' ' 48' ' ' ILE . 54.5 mt -60.86 -43.28 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.163 0.506 . . . . 42.799999999999997 111.32 177.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.74 -39.27 90.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.649 0.738 . . . . 36.090000000000003 112.555 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.39 -42.32 79.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.932 0.715 . . . . 69.140000000000001 112.932 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.7 mt -66.56 -41.88 89.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 CA-C-O 121.618 0.723 . . . . 39.600000000000001 111.611 175.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -59.69 -44.27 93.72 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 114.274 1.212 . . . . 40.759999999999998 114.274 175.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.3 -46.49 92.84 Favored Glycine 0 C--O 1.222 -0.628 0 O-C-N 124.293 0.996 . . . . 27.890000000000001 110.694 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 117' ' ' HOH . 9.8 ttmt -66.33 -44.96 81.87 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.641 -0.329 . . . . 49.479999999999997 110.827 -178.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.72 -41.86 91.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.165 0.802 . . . . 36.380000000000003 113.165 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.62 -38.59 85.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.794 1.035 . . . . 41.600000000000001 113.794 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.26 -37.44 77.91 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 110.119 -0.326 . . . . 31.73 110.119 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.56 -47.81 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.97 -0.105 . . . . 33.219999999999999 110.935 174.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 63.2 mt -57.55 -41.13 78.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 122.767 0.427 . . . . 41.0 111.965 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.47 -44.69 86.36 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.108 0.48 . . . . 72.840000000000003 111.235 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' NZ ' ' OE2' ' C' ' 67' ' ' GLU . 4.5 tptp -59.37 -41.92 90.43 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.897 -0.592 . . . . 66.810000000000002 110.954 176.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -38.14 89.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 114.067 1.136 . . . . 35.140000000000001 114.067 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -62.81 -39.29 93.84 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.612 -0.835 . . . . 67.579999999999998 110.964 172.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.15 -49.5 77.37 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.902 0.319 . . . . 72.340000000000003 110.736 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 tt -62.3 -37.91 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 112.387 0.514 . . . . 46.780000000000001 112.387 -177.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -61.99 -37.4 84.66 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 119.65 -0.82 . . . . 75.969999999999999 112.731 175.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -62.17 -44.37 96.76 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 119.935 -0.706 . . . . 68.25 111.148 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -63.63 -38.54 91.49 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.02 0.438 . . . . 75.739999999999995 111.497 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -60.52 -43.95 96.57 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.876 -0.515 . . . . 68.790000000000006 112.324 174.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -56.47 -47.32 79.46 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.674 0.75 . . . . 59.920000000000002 111.389 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.19 -43.64 97.61 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.754 1.02 . . . . 60.479999999999997 113.754 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -61.88 -41.6 91.43 Favored 'Isoleucine or valine' 0 C--O 1.265 1.894 0 N-CA-C 113.246 0.832 . . . . 41.409999999999997 113.246 175.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CD ' HH12 ' B' ' 76' ' ' ARG . 1.3 tp10 -57.74 -43.58 85.47 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 116.126 -0.488 . . . . 74.290000000000006 110.969 175.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.45 -40.79 87.12 Favored Glycine 0 C--O 1.258 1.638 0 CA-C-N 116.231 -0.44 . . . . 32.840000000000003 112.794 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -70.94 -37.86 72.85 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 111.833 0.308 . . . . 34.43 111.833 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' CD1' HD11 ' B' ' 77' ' ' ILE . 97.0 mt -63.83 -47.23 91.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 109.408 -0.59 . . . . 39.399999999999999 109.408 175.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -51.21 -47.37 62.3 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 122.022 0.915 . . . . 69.920000000000002 112.283 175.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.86 -39.18 84.35 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.854 1.057 . . . . 40.689999999999998 113.854 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.68 -36.92 76.42 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.657 0.783 . . . . 30.879999999999999 111.469 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.1 -38.31 75.62 Favored 'General case' 0 C--O 1.27 2.132 0 N-CA-C 112.796 0.665 . . . . 40.659999999999997 112.796 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -78.8 -47.94 15.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 114.791 1.404 . . . . 73.579999999999998 114.791 -178.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -107.02 -22.39 12.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 116.041 -1.933 . . . . 42.369999999999997 113.157 -173.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.965 1 CA-C-N 126.596 4.271 . . . . 30.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.675 0 N-CA-C 109.063 -1.615 . . . . 70.510000000000005 109.063 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 45.8 m -68.75 -63.33 1.08 Allowed 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 115.917 1.821 . . . . 67.159999999999997 115.917 -163.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 mt -52.93 -33.53 19.37 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.193 0 CA-C-N 120.317 1.417 . . . . 89.359999999999999 111.612 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.55 -39.36 81.1 Favored 'General case' 0 N--CA 1.422 -1.858 0 O-C-N 123.85 0.719 . . . . 85.159999999999997 112.689 172.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' B' ' 44' ' ' SER . 0.0 OUTLIER -71.39 -37.15 71.57 Favored 'General case' 0 C--O 1.164 -3.396 0 CA-C-N 119.31 0.959 . . . . 98.989999999999995 110.024 -178.34 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 45' ' ' ILE . 49.3 mt -63.54 -49.73 81.3 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.812 0 O-C-N 124.175 0.922 . . . . 58.109999999999999 110.477 177.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -54.52 -42.98 71.49 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 113.934 1.087 . . . . 59.759999999999998 113.934 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.45 -46.72 93.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.533 -0.842 . . . . 45.759999999999998 111.043 176.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -67.11 -41.36 86.38 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.568 0.223 . . . . 56.710000000000001 110.604 -177.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.729 HD22 HG23 ' C' ' 48' ' ' ILE . 26.5 tp -58.3 -46.03 86.86 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 121.63 0.729 . . . . 40.649999999999999 112.432 172.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -60.08 -35.07 74.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.894 0.702 . . . . 59.859999999999999 112.894 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 93.6 mtm-85 -70.26 -38.97 75.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 123.447 0.467 . . . . 84.420000000000002 111.116 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.95 -45.43 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 O-C-N 123.218 0.324 . . . . 39.670000000000002 110.718 174.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.38 -45.43 96.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.103 0 O-C-N 122.889 0.118 . . . . 44.759999999999998 110.738 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.4 -46.26 89.4 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.884 0.74 . . . . 84.180000000000007 110.022 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' B' ' 58' ' ' LYS . 6.4 tppt? -58.74 -44.99 90.67 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.191 -0.459 . . . . 65.75 109.787 177.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.08 -44.02 91.87 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 119.657 -0.817 . . . . 47.18 112.521 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -59.73 -39.96 86.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.043 -1.063 . . . . 51.789999999999999 111.401 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -57.63 -48.25 79.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.349 0.406 . . . . 78.0 110.317 174.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.52 -47.29 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 CA-C-N 116.0 -0.546 . . . . 41.390000000000001 111.697 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.57 -42.21 78.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 119.55 -0.262 . . . . 60.060000000000002 110.884 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -68.39 -42.7 78.68 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.626 0.579 . . . . 73.659999999999997 110.938 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.4 -46.91 86.48 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.714 -0.847 . . . . 91.099999999999994 108.714 -179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' C' ' 69' ' ' GLU . 30.5 t80 -59.78 -44.63 93.81 Favored 'General case' 0 N--CA 1.436 -1.144 0 O-C-N 123.873 0.733 . . . . 57.039999999999999 111.939 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -60.26 -41.86 94.13 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.13 0.419 . . . . 58.770000000000003 112.13 176.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.57 -42.93 95.33 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.788 0.662 . . . . 73.219999999999999 112.788 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.46 -49.79 81.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 122.902 0.481 . . . . 44.479999999999997 110.007 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.3 -40.31 93.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.47 0.176 . . . . 84.269999999999996 111.429 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.59 -37.55 93.58 Favored Glycine 0 C--O 1.238 0.397 0 C-N-CA 120.93 -0.653 . . . . 45.409999999999997 112.955 176.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.459 HH12 ' CD ' ' A' ' 74' ' ' GLU . 64.1 mtp180 -69.35 -39.33 78.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 118.981 -1.088 . . . . 51.240000000000002 110.777 178.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.435 HD11 ' CD1' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -63.4 -47.49 91.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.071 -0.714 . . . . 48.130000000000003 109.071 178.878 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -50.89 -51.68 49.44 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.439 -0.346 . . . . 82.379999999999995 110.83 176.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.1 -43.25 73.85 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.961 0.726 . . . . 82.159999999999997 112.961 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.74 -36.53 83.86 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 122.103 -0.373 . . . . 51.890000000000001 111.175 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.03 -35.73 82.1 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 114.545 1.313 . . . . 62.07 114.545 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' B' ' 84' ' ' NH2 . 6.6 mtmt -93.57 -70.14 0.72 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 120.285 -0.566 . . . . 116.09999999999999 110.549 -178.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 82' ' ' LYS . 65.5 m-85 -57.9 -2.48 0.16 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 112.988 -3.485 . . . . 93.629999999999995 111.879 -172.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' NH2 . . . . . 0.574 ' N ' ' O ' ' B' ' 82' ' ' LYS . . . . . . . . 1 C--N 1.234 -4.426 0 O-C-N 117.165 -3.459 . . . . 69.159999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' ACE . . . . . 0.452 ' H2 ' ' C ' ' C' ' 42' ' ' TRP . . . . . . . . 0 C--O 1.223 -0.33 . . . . . . . . 83.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' TRP . . . . . 0.452 ' C ' ' H2 ' ' C' ' 41' ' ' ACE . 24.3 m-90 -61.87 130.37 45.34 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 121.183 -0.948 . . . . 72.769999999999996 110.006 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.75 -27.5 11.3 Favored Glycine 0 C--O 1.198 -2.121 0 N-CA-C 117.649 1.82 . . . . 68.390000000000001 117.649 -173.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -120.55 152.53 37.96 Favored 'General case' 0 C--O 1.172 -3.017 0 N-CA-C 112.427 0.528 . . . . 48.090000000000003 112.427 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 1.2 pp -52.09 -44.58 40.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-N 114.452 -1.249 . . . . 72.329999999999998 111.788 169.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.13 -44.96 92.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 87.989999999999995 110.039 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.7 -41.51 83.47 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 113.886 1.069 . . . . 45.409999999999997 113.886 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.729 HG23 HD22 ' B' ' 52' ' ' LEU . 34.3 mt -59.25 -45.8 92.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.709 -0.849 . . . . 44.539999999999999 108.709 175.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -62.53 -39.06 92.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.6 0.963 . . . . 42.579999999999998 113.6 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.06 96.64 Favored Glycine 0 C--N 1.343 0.956 0 N-CA-C 111.472 -0.651 . . . . 38.200000000000003 111.472 175.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' C' ' 114' ' ' HOH . 0.0 OUTLIER -67.38 -43.38 81.51 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.112 0.958 . . . . 78.450000000000003 110.7 -179.089 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.685 -0.689 . . . . 44.200000000000003 112.162 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.99 -36.26 72.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.589 0.959 . . . . 40.289999999999999 113.589 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -67.64 -40.5 84.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.102 0.477 . . . . 55.109999999999999 111.171 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -44.91 99.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.855 -0.611 . . . . 39.920000000000002 110.35 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.61 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.038 -0.528 . . . . 35.130000000000003 111.139 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -63.67 -45.59 89.45 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 122.973 0.509 . . . . 86.010000000000005 110.322 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -64.91 -43.35 93.1 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 112.72 0.637 . . . . 71.379999999999995 112.72 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.52 -42.46 82.88 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 112.928 0.714 . . . . 41.869999999999997 112.928 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.2 -43.42 52.58 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 109.202 -0.666 . . . . 53.789999999999999 109.202 175.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -70.24 -39.18 75.19 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.859 1.059 . . . . 64.689999999999998 113.859 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -61.58 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 O-C-N 122.024 -0.422 . . . . 58.520000000000003 111.229 176.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' GLU . . . . . 0.521 ' OE2' ' NZ ' ' A' ' 58' ' ' LYS . 44.2 mt-10 -56.8 -43.96 81.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 123.686 0.616 . . . . 54.619999999999997 112.283 176.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -62.63 -45.39 93.07 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.175 -0.466 . . . . 92.340000000000003 110.191 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.465 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 48.1 mt-10 -64.8 -38.8 92.2 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.602 0.593 . . . . 73.569999999999993 112.602 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -60.8 -44.13 97.23 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.774 0.672 . . . . 56.200000000000003 112.281 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -56.07 -48.18 76.57 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.309 0.381 . . . . 65.019999999999996 110.383 174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -41.2 96.4 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.512 0.93 . . . . 87.120000000000005 113.512 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 t -61.68 -45.29 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.873 0.368 . . . . 42.829999999999998 111.024 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.74 -43.14 90.13 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.759 -0.588 . . . . 41.490000000000002 110.151 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.8 71.23 Favored Glycine 0 N--CA 1.466 0.637 0 CA-C-O 121.134 0.297 . . . . 36.82 112.882 173.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -68.05 -31.36 70.95 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.657 0.742 . . . . 57.380000000000003 112.981 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' ILE . . . . . . . . . . . . . 99.0 mt -67.53 -44.8 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.792 -0.64 . . . . 37.329999999999998 110.799 172.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -53.18 -50.04 65.44 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.533 0.521 . . . . 39.909999999999997 111.121 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -55.84 -42.67 76.11 Favored 'General case' 0 C--O 1.25 1.106 0 N-CA-C 113.752 1.019 . . . . 57.32 113.752 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.87 -37.59 84.7 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 122.988 0.515 . . . . 44.590000000000003 110.894 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -68.1 -42.22 80.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 110.334 -0.247 . . . . 42.549999999999997 110.334 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' LYS . . . . . 0.817 ' HD3' ' N ' ' C' ' 84' ' ' NH2 . 0.0 OUTLIER -64.29 -38.18 90.14 Favored 'General case' 0 CA--C 1.464 -2.364 0 C-N-CA 127.846 2.458 . . . . 87.390000000000001 107.616 -175.863 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' TYR . . . . . 0.77 ' HB2' ' O ' ' C' ' 82' ' ' LYS . 0.0 OUTLIER 97.73 -8.46 0.06 Allowed 'General case' 0 C--O 1.269 2.13 0 CA-C-N 112.781 -2.009 . . . . 100.22 105.9 171.149 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' NH2 . . . . . 0.817 ' N ' ' HD3' ' C' ' 82' ' ' LYS . . . . . . . . 0 C--N 1.289 -2.064 0 CA-C-N 119.41 1.005 . . . . 66.590000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . 0.42 ' O ' ' CE ' ' A' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' HOH . . . . . 0.467 ' O ' ' HD3' ' C' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_