data_3khq_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 3khq _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 ' 43' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.042 0.448 . . . . 80.120000000000005 111.735 . -72.97 -75.384 89.937 103.866 2.033 102.988 -176.231 70.019 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -99.06 -108.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 109.63 110.625 -171.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -97.03 -6.25 35.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 119.75 110.121 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.8 mt -124.33 124.73 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.735 -1.209 . . . . 38.640000000000001 107.735 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.5 m-90 -109.69 139.21 44.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 121.003 -0.279 . . . . 39.049999999999997 110.757 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.9 145.17 50.38 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 116.149 -0.478 . . . . 33.32 111.745 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -141.31 131.73 13.13 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 114.077 -1.419 . . . . 50.299999999999997 109.285 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.74 -174.49 14.78 Favored 'Cis proline' 0 N--CA 1.453 -0.895 0 N-CA-C 109.614 -0.956 . . . . 39.57 109.614 -5.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -100.34 -18.85 16.59 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.27 -0.572 . . . . 38.329999999999998 111.102 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -146.17 135.51 22.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.613 -0.722 . . . . 29.309999999999999 109.679 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.26 31.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.432 -0.581 . . . . 24.510000000000002 109.432 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.31 119.91 28.56 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.294 -1.002 . . . . 32.590000000000003 108.294 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -137.27 144.42 42.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.722 -0.672 . . . . 72.549999999999997 110.342 -170.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -70.58 149.71 46.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.797 -0.638 . . . . 107.3 110.67 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -54.7 144.07 23.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.085 -0.709 . . . . 124.25 109.085 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 84.98 -9.8 0.84 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.53 1.307 . . . . 33.520000000000003 114.53 179.322 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.8 p -83.53 179.58 7.6 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.81 -0.556 . . . . 45.890000000000001 111.018 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.87 146.68 44.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.165 -0.68 . . . . 68.629999999999995 109.165 -178.221 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.9 m -134.56 151.0 30.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 39.609999999999999 110.7 173.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -128.47 128.86 45.19 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.44 -0.8 . . . . 45.82 110.053 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -115.45 157.34 24.11 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.163 -1.421 . . . . 29.609999999999999 107.163 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -137.2 144.28 42.77 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.796 -0.362 . . . . 26.899999999999999 110.716 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.1 p -141.32 152.81 44.75 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.381 -0.528 . . . . 28.030000000000001 110.537 174.633 67.393 -156.082 -86.673 105.187 2.038 104.144 179.851 -68.207 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.5 164.15 38.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.692 -0.686 . . . . 33.579999999999998 109.949 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 t -142.58 167.49 21.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.827 -0.805 . . . . 37.439999999999998 108.827 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -93.95 -1.12 55.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.857 0.688 . . . . 79.810000000000002 112.857 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -97.67 161.31 13.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.005 -0.739 . . . . 127.92 109.005 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . 0.833 ' OG ' ' O ' ' A' ' 215' ' ' HOH . 2.5 t -75.77 157.21 33.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.872 -0.731 . . . . 60.409999999999997 110.965 171.669 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.09 143.94 7.04 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.129 -0.789 . . . . 60.590000000000003 111.129 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.77 150.11 47.25 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.359 0.6 . . . . 49.490000000000002 109.514 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt -107.36 152.17 24.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.135 -1.061 . . . . 33.560000000000002 108.135 171.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.1 p -132.91 148.21 52.29 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.157 -1.053 . . . . 49.270000000000003 108.157 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . 0.412 ' CE2' ' SG ' ' A' ' 120' ' ' CYS . 86.3 m95 -90.14 143.97 26.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.61 0.967 . . . . 30.609999999999999 113.61 -176.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -132.08 157.24 44.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.004 -1.48 . . . . 44.409999999999997 107.004 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -123.9 142.37 51.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.284 -1.006 . . . . 63.479999999999997 108.284 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -129.44 128.95 43.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.949 -1.5 . . . . 56.880000000000003 106.949 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -105.94 121.64 44.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.292 -0.633 . . . . 83.730000000000004 109.292 172.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 54.2 -127.49 39.08 Favored Glycine 0 N--CA 1.461 0.359 0 C-N-CA 121.301 -0.476 . . . . 50.710000000000001 112.848 -175.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -105.07 19.03 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.52 -0.4 . . . . 59.979999999999997 110.447 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 167.01 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 94.459999999999994 110.003 -179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -68.6 136.0 90.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.99 -0.745 . . . . 94.790000000000006 108.99 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -60.95 143.27 99.31 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 121.288 1.325 . . . . 50.189999999999998 111.473 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -124.65 139.15 54.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.142 -0.688 . . . . 105.64 109.142 179.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 165' ' ' HOH . 59.6 tt0 -64.57 143.31 58.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.605 -0.887 . . . . 84.670000000000002 108.605 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 48.7 mt -80.82 141.61 34.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.308 -0.405 . . . . 45.840000000000003 110.113 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.49 158.67 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.15 -0.685 . . . . 47.719999999999999 109.15 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.4 t -68.19 -32.84 73.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.439 0.533 . . . . 53.07 112.439 -169.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 51.7 51.35 16.83 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.451 0.643 . . . . 60.899999999999999 110.419 -171.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.33 34.46 18.46 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.023 -0.989 . . . . 37.579999999999998 112.969 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.72 0.86 64.04 Favored Glycine 0 N--CA 1.459 0.216 0 N-CA-C 115.553 0.981 . . . . 28.43 115.553 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -72.79 -32.54 65.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.443 0.621 . . . . 36.130000000000003 109.847 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.67 116.0 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.737 -1.579 . . . . 36.07 106.737 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -127.67 133.69 67.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-O 121.234 0.54 . . . . 39.170000000000002 111.752 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -107.84 124.99 50.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.351 -0.841 . . . . 37.130000000000003 109.002 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 66.9 p -129.04 166.28 19.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.324 0.583 . . . . 39.640000000000001 110.76 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . 0.663 ' OE1' ' O ' ' A' ' 223' ' ' HOH . 34.8 tt0 -122.43 125.02 44.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.384 -0.969 . . . . 52.700000000000003 108.384 178.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 227' ' ' HOH . 35.6 t-20 -115.46 77.29 1.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.944 -1.132 . . . . 120.20999999999999 107.944 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.44 -107.38 2.13 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 116.308 -0.405 . . . . 59.280000000000001 112.782 -172.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.8 m -96.68 -10.46 26.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 70.590000000000003 110.67 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.37 136.18 35.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.84 -0.618 . . . . 31.710000000000001 111.506 -176.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -105.27 127.37 52.91 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.487 -0.779 . . . . 44.75 109.154 177.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.8 m -117.36 136.77 52.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.463 0.649 . . . . 26.079999999999998 111.177 -172.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.94 126.36 54.65 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.332 -1.358 . . . . 26.309999999999999 107.332 174.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.0 m -113.71 123.13 49.14 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.053 -0.721 . . . . 27.300000000000001 109.053 175.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.0 mt -113.47 117.5 55.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 107.97 -1.122 . . . . 28.57 107.97 175.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 222' ' ' HOH . 62.8 mt-30 -101.88 160.68 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.519 -0.309 . . . . 48.469999999999999 110.263 179.455 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.5 t30 46.53 56.41 6.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.114 0.959 . . . . 41.789999999999999 111.242 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 26.8 mt -59.64 136.17 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 114.529 -1.214 . . . . 28.809999999999999 111.62 -174.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -141.84 -176.19 4.68 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.592 -0.731 . . . . 64.950000000000003 111.639 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -54.04 -38.97 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.551 0.945 . . . . 41.689999999999998 113.551 -169.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.71 -11.3 53.82 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.675 0.621 . . . . 66.760000000000005 112.675 -175.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.1 -14.59 46.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.577 0.584 . . . . 37.25 112.577 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -52.52 133.41 35.66 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.586 -0.894 . . . . 31.699999999999999 108.586 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.43 31.56 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.2 -1.0 . . . . 27.32 111.622 171.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 mm -105.6 128.68 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.641 -0.874 . . . . 48.380000000000003 108.641 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -109.45 137.61 47.05 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.675 0.75 . . . . 25.890000000000001 110.309 -177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' PHE . . . . . 0.896 ' CE1' ' CE ' ' A' ' 121' ' ' LYS . 42.1 p90 -147.79 152.81 38.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.089 -0.644 . . . . 72.859999999999999 111.761 177.697 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 75' ' ' TRP . 90.0 m -95.95 142.96 27.56 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.276 -1.329 . . . . 33.340000000000003 111.32 174.1 -68.207 179.851 -86.673 104.144 2.038 105.187 -156.082 67.393 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LYS . . . . . 0.896 ' CE ' ' CE1' ' A' ' 119' ' ' PHE . 88.0 mttt -133.19 154.87 50.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.564 -1.272 . . . . 89.969999999999999 107.564 174.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -56.76 129.43 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.357 -0.608 . . . . 86.930000000000007 109.357 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -53.17 60.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.352 0.596 . . . . 76.099999999999994 110.749 -175.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' CYS . . . . . 1.14 ' SG ' ' SG2' ' A' ' 900' ' ' GSH . 85.0 m -119.32 124.07 45.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.064 -1.458 . . . . 68.400000000000006 107.064 174.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -130.15 117.18 19.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.73 -0.471 . . . . 101.81999999999999 109.73 -172.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.554 -0.748 . . . . 96.579999999999998 111.017 176.063 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.063 -0.347 . . . . 84.010000000000005 110.063 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.68 160.83 14.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.05 -0.523 . . . . 63.340000000000003 109.976 177.153 70.019 -176.231 89.937 102.988 2.033 103.866 -75.384 -72.97 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -137.96 175.15 21.5 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.866 -0.683 . . . . 33.82 112.018 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 68.6 m -123.32 119.07 29.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.391 -0.966 . . . . 26.780000000000001 108.391 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -90.85 132.47 35.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 51.969999999999999 109.989 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.0 tp -112.94 123.49 50.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.858 -1.164 . . . . 25.550000000000001 107.858 172.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 43.6 tp -111.95 124.93 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.331 1.02 . . . . 38.920000000000002 108.945 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 25.1 t -95.99 118.69 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.357 -0.383 . . . . 35.75 110.065 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 108.923 -0.769 . . . . 59.990000000000002 108.923 -175.998 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 800' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 900' ' ' GSH . . . . . 1.14 ' SG2' ' SG ' ' A' ' 124' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . 0.437 ' O ' ' CG ' ' A' ' 86' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . 0.833 ' O ' ' OG ' ' A' ' 70' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . 0.419 ' O ' ' NE2' ' A' ' 108' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . 0.663 ' O ' ' OE1' ' A' ' 98' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . 0.515 ' O ' ' CB ' ' A' ' 99' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' HB2' ' CD1' ' A' ' 47' ' ' TRP . 65.0 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.042 0.448 . . . . 80.120000000000005 111.735 . -72.97 -75.384 89.937 103.866 2.033 102.988 -176.231 70.019 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -99.06 -108.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 109.63 110.625 -171.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -97.03 -6.25 35.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 119.75 110.121 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.8 mt -124.33 124.73 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.735 -1.209 . . . . 38.640000000000001 107.735 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TRP . . . . . 0.479 ' CD1' ' HB2' ' A' ' 43' ' ' CYS . 24.5 m-90 -109.69 139.21 44.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 121.003 -0.279 . . . . 39.049999999999997 110.757 -177.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.9 145.17 50.38 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 116.149 -0.478 . . . . 33.32 111.745 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -141.31 131.73 13.13 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 114.077 -1.419 . . . . 50.299999999999997 109.285 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.74 -174.49 14.78 Favored 'Cis proline' 0 N--CA 1.453 -0.895 0 N-CA-C 109.614 -0.956 . . . . 39.57 109.614 -5.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NH2' ' HB2' ' A' ' 135' ' ' CYS . 49.1 mmm-85 -100.34 -18.85 16.59 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.27 -0.572 . . . . 38.329999999999998 111.102 173.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -146.17 135.51 22.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.613 -0.722 . . . . 29.309999999999999 109.679 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.26 31.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.432 -0.581 . . . . 24.510000000000002 109.432 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.31 119.91 28.56 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.294 -1.002 . . . . 32.590000000000003 108.294 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.827 ' HG3' ' CG1' ' A' ' 61' ' ' VAL . 30.1 mmmt -137.27 144.42 42.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.722 -0.672 . . . . 72.549999999999997 110.342 -170.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -70.58 149.71 46.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.797 -0.638 . . . . 107.3 110.67 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 58' ' ' SER . 32.7 mtm180 -54.7 144.07 23.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.085 -0.709 . . . . 124.25 109.085 178.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.9 OUTLIER 84.98 -9.8 0.84 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.53 1.307 . . . . 36.840000000000003 114.53 179.322 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.8 p -83.53 179.58 7.6 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.81 -0.556 . . . . 45.890000000000001 111.018 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.87 146.68 44.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.165 -0.68 . . . . 68.629999999999995 109.165 -178.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . 0.827 ' CG1' ' HG3' ' A' ' 55' ' ' LYS . 20.9 m -134.56 151.0 30.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 39.609999999999999 110.7 173.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -128.47 128.86 45.19 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.44 -0.8 . . . . 45.82 110.053 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -115.45 157.34 24.11 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.163 -1.421 . . . . 29.609999999999999 107.163 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -137.2 144.28 42.77 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.796 -0.362 . . . . 26.899999999999999 110.716 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.1 p -141.32 152.81 44.75 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.381 -0.528 . . . . 28.030000000000001 110.537 174.633 67.393 -156.082 -86.673 105.187 2.038 104.144 179.851 -68.207 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.5 164.15 38.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.692 -0.686 . . . . 33.579999999999998 109.949 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 t -142.58 167.49 21.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.827 -0.805 . . . . 37.439999999999998 108.827 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -93.95 -1.12 55.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.857 0.688 . . . . 79.810000000000002 112.857 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -97.67 161.31 13.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.005 -0.739 . . . . 127.92 109.005 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . 0.833 ' OG ' ' O ' ' A' ' 215' ' ' HOH . 2.5 t -75.77 157.21 33.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.872 -0.731 . . . . 60.409999999999997 110.965 171.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.09 143.94 7.04 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.129 -0.789 . . . . 60.590000000000003 111.129 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HA ' ' OH ' ' A' ' 103' ' ' TYR . . . -69.77 150.11 47.25 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.359 0.6 . . . . 49.490000000000002 109.514 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt -107.36 152.17 24.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.135 -1.061 . . . . 33.560000000000002 108.135 171.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.1 p -132.91 148.21 52.29 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.157 -1.053 . . . . 49.270000000000003 108.157 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . 0.412 ' CE2' ' SG ' ' A' ' 120' ' ' CYS . 86.3 m95 -90.14 143.97 26.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.61 0.967 . . . . 30.609999999999999 113.61 -176.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -132.08 157.24 44.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.004 -1.48 . . . . 44.409999999999997 107.004 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -123.9 142.37 51.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.284 -1.006 . . . . 63.479999999999997 108.284 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -129.44 128.95 43.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.949 -1.5 . . . . 56.880000000000003 106.949 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -105.94 121.64 44.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.292 -0.633 . . . . 83.730000000000004 109.292 172.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 54.2 -127.49 39.08 Favored Glycine 0 N--CA 1.461 0.359 0 C-N-CA 121.301 -0.476 . . . . 50.710000000000001 112.848 -175.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -105.07 19.03 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.52 -0.4 . . . . 59.979999999999997 110.447 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 167.01 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 94.459999999999994 110.003 -179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -68.6 136.0 90.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.99 -0.745 . . . . 94.790000000000006 108.99 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -60.95 143.27 99.31 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 121.288 1.325 . . . . 50.189999999999998 111.473 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -124.65 139.15 54.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.142 -0.688 . . . . 105.64 109.142 179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 165' ' ' HOH . 59.6 tt0 -64.57 143.31 58.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.605 -0.887 . . . . 84.670000000000002 108.605 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 48.7 mt -80.82 141.61 34.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.308 -0.405 . . . . 45.840000000000003 110.113 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.49 158.67 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.15 -0.685 . . . . 47.719999999999999 109.15 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.4 t -68.19 -32.84 73.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.439 0.533 . . . . 53.07 112.439 -169.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 51.7 51.35 16.83 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.451 0.643 . . . . 60.899999999999999 110.419 -171.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.33 34.46 18.46 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.023 -0.989 . . . . 37.579999999999998 112.969 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.72 0.86 64.04 Favored Glycine 0 N--CA 1.459 0.216 0 N-CA-C 115.553 0.981 . . . . 28.43 115.553 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -72.79 -32.54 65.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.443 0.621 . . . . 36.130000000000003 109.847 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.67 116.0 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.737 -1.579 . . . . 36.07 106.737 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -127.67 133.69 67.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-O 121.234 0.54 . . . . 39.170000000000002 111.752 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -107.84 124.99 50.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.351 -0.841 . . . . 37.130000000000003 109.002 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 66.9 p -129.04 166.28 19.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.324 0.583 . . . . 39.640000000000001 110.76 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . 0.663 ' OE1' ' O ' ' A' ' 223' ' ' HOH . 34.8 tt0 -122.43 125.02 44.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.384 -0.969 . . . . 52.700000000000003 108.384 178.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' A' ' 227' ' ' HOH . 35.6 t-20 -115.46 77.29 1.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.944 -1.132 . . . . 120.20999999999999 107.944 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.44 -107.38 2.13 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 116.308 -0.405 . . . . 59.280000000000001 112.782 -172.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.8 m -96.68 -10.46 26.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 70.590000000000003 110.67 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.37 136.18 35.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.84 -0.618 . . . . 31.710000000000001 111.506 -176.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 72' ' ' ALA . 84.0 m-85 -105.27 127.37 52.91 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.487 -0.779 . . . . 44.75 109.154 177.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.8 m -117.36 136.77 52.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.463 0.649 . . . . 26.079999999999998 111.177 -172.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.94 126.36 54.65 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.332 -1.358 . . . . 26.309999999999999 107.332 174.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.0 m -113.71 123.13 49.14 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.053 -0.721 . . . . 27.300000000000001 109.053 175.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.0 mt -113.47 117.5 55.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 107.97 -1.122 . . . . 28.57 107.97 175.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.88 160.68 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.519 -0.309 . . . . 48.469999999999999 110.263 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.5 t30 46.53 56.41 6.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.114 0.959 . . . . 41.789999999999999 111.242 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . 0.695 HD11 HG13 ' A' ' 61' ' ' VAL . 26.8 mt -59.64 136.17 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 114.529 -1.214 . . . . 33.539999999999999 111.62 -174.293 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -141.84 -176.19 4.68 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.592 -0.731 . . . . 64.950000000000003 111.639 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -54.04 -38.97 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.551 0.945 . . . . 41.689999999999998 113.551 -169.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.71 -11.3 53.82 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.675 0.621 . . . . 66.760000000000005 112.675 -175.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.1 -14.59 46.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.577 0.584 . . . . 37.25 112.577 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -52.52 133.41 35.66 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.586 -0.894 . . . . 31.699999999999999 108.586 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.43 31.56 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.2 -1.0 . . . . 27.32 111.622 171.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 mm -105.6 128.68 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.641 -0.874 . . . . 48.380000000000003 108.641 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -109.45 137.61 47.05 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.675 0.75 . . . . 25.890000000000001 110.309 -177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' PHE . . . . . 1.315 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 42.1 p90 -147.79 152.81 38.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.089 -0.644 . . . . 72.859999999999999 111.761 177.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 75' ' ' TRP . 90.0 m -95.95 142.96 27.56 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.276 -1.329 . . . . 33.340000000000003 111.32 174.1 -68.207 179.851 -86.673 104.144 2.038 105.187 -156.082 67.393 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LYS . . . . . 1.315 ' HE3' ' CE1' ' A' ' 119' ' ' PHE . 88.0 mttt -133.19 154.87 50.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.564 -1.272 . . . . 89.969999999999999 107.564 174.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -56.76 129.43 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.357 -0.608 . . . . 86.930000000000007 109.357 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -53.17 60.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.352 0.596 . . . . 76.099999999999994 110.749 -175.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' CYS . . . . . 1.035 ' SG ' ' SG2' ' A' ' 900' ' ' GSH . 85.0 m -119.32 124.07 45.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.064 -1.458 . . . . 68.400000000000006 107.064 174.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -130.15 117.18 19.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.73 -0.471 . . . . 101.81999999999999 109.73 -172.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.554 -0.748 . . . . 96.579999999999998 111.017 176.063 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' SER . . . . . 0.531 ' HB3' ' O ' ' A' ' 225' ' ' HOH . 35.9 t . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.063 -0.347 . . . . 84.010000000000005 110.063 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' CYS . . . . . 0.469 ' HB2' ' NH2' ' A' ' 51' ' ' ARG . 20.0 p -95.68 160.83 14.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.05 -0.523 . . . . 63.340000000000003 109.976 177.153 70.019 -176.231 89.937 102.988 2.033 103.866 -75.384 -72.97 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -137.96 175.15 21.5 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.866 -0.683 . . . . 33.82 112.018 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 68.6 m -123.32 119.07 29.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.391 -0.966 . . . . 26.780000000000001 108.391 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -90.85 132.47 35.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 51.969999999999999 109.989 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.0 tp -112.94 123.49 50.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.858 -1.164 . . . . 25.550000000000001 107.858 172.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 43.6 tp -111.95 124.93 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.331 1.02 . . . . 38.920000000000002 108.945 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 25.1 t -95.99 118.69 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.357 -0.383 . . . . 35.75 110.065 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 108.923 -0.769 . . . . 59.990000000000002 108.923 -175.998 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 800' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 900' ' ' GSH . . . . . 1.035 ' SG2' ' SG ' ' A' ' 124' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . 0.485 ' O ' ' HG3' ' A' ' 86' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . 0.833 ' O ' ' OG ' ' A' ' 70' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . 0.663 ' O ' ' OE1' ' A' ' 98' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . 0.531 ' O ' ' HB3' ' A' ' 134' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . 0.523 ' O ' ' HB3' ' A' ' 99' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' HB2' ' CD1' ' A' ' 47' ' ' TRP . 65.0 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.042 0.448 . . . . 80.120000000000005 111.735 . -72.97 -75.384 89.937 103.866 2.033 102.988 -176.231 70.019 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -99.06 -108.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 109.63 110.625 -171.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -97.03 -6.25 35.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 119.75 110.121 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.8 mt -124.33 124.73 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 N-CA-C 107.735 -1.209 . . . . 38.640000000000001 107.735 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.479 ' CD1' ' HB2' ' A' ' 43' ' ' CYS . 24.5 m-90 -109.69 139.21 44.99 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 121.003 -0.279 . . . . 39.049999999999997 110.757 -177.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.9 145.17 50.38 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 116.149 -0.478 . . . . 33.32 111.745 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -141.31 131.73 13.13 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 114.077 -1.419 . . . . 50.299999999999997 109.285 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.74 -174.49 14.78 Favored 'Cis proline' 0 N--CA 1.453 -0.895 0 N-CA-C 109.614 -0.956 . . . . 39.57 109.614 -5.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' NH2' ' HB2' ' A' ' 135' ' ' CYS . 49.1 mmm-85 -100.34 -18.85 16.59 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.27 -0.572 . . . . 38.329999999999998 111.102 173.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -146.17 135.51 22.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.613 -0.722 . . . . 29.309999999999999 109.679 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.26 31.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.432 -0.581 . . . . 24.510000000000002 109.432 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.31 119.91 28.56 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.294 -1.002 . . . . 32.590000000000003 108.294 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.827 ' HG3' ' CG1' ' A' ' 61' ' ' VAL . 30.1 mmmt -137.27 144.42 42.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.722 -0.672 . . . . 72.549999999999997 110.342 -170.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -70.58 149.71 46.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.797 -0.638 . . . . 107.3 110.67 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 58' ' ' SER . 32.7 mtm180 -54.7 144.07 23.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.085 -0.709 . . . . 124.25 109.085 178.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.9 OUTLIER 84.98 -9.8 0.84 Allowed 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.53 1.307 . . . . 36.840000000000003 114.53 179.322 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.8 p -83.53 179.58 7.6 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.81 -0.556 . . . . 45.890000000000001 111.018 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.87 146.68 44.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.165 -0.68 . . . . 68.629999999999995 109.165 -178.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.827 ' CG1' ' HG3' ' A' ' 55' ' ' LYS . 20.9 m -134.56 151.0 30.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 39.609999999999999 110.7 173.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -128.47 128.86 45.19 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.44 -0.8 . . . . 45.82 110.053 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -115.45 157.34 24.11 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.163 -1.421 . . . . 29.609999999999999 107.163 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -137.2 144.28 42.77 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.796 -0.362 . . . . 26.899999999999999 110.716 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.1 p -141.32 152.81 44.75 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.381 -0.528 . . . . 28.030000000000001 110.537 174.633 67.393 -156.082 -86.673 105.187 2.038 104.144 179.851 -68.207 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.5 164.15 38.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.692 -0.686 . . . . 33.579999999999998 109.949 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 t -142.58 167.49 21.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.827 -0.805 . . . . 37.439999999999998 108.827 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -93.95 -1.12 55.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.857 0.688 . . . . 79.810000000000002 112.857 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -97.67 161.31 13.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.005 -0.739 . . . . 127.92 109.005 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . 0.833 ' OG ' ' O ' ' A' ' 215' ' ' HOH . 2.5 t -75.77 157.21 33.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.872 -0.731 . . . . 60.409999999999997 110.965 171.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.09 143.94 7.04 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.129 -0.789 . . . . 60.590000000000003 111.129 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HA ' ' OH ' ' A' ' 103' ' ' TYR . . . -69.77 150.11 47.25 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.359 0.6 . . . . 49.490000000000002 109.514 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.8 mt -107.36 152.17 24.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.135 -1.061 . . . . 33.560000000000002 108.135 171.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.1 p -132.91 148.21 52.29 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.157 -1.053 . . . . 49.270000000000003 108.157 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.412 ' CE2' ' SG ' ' A' ' 120' ' ' CYS . 86.3 m95 -90.14 143.97 26.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.61 0.967 . . . . 30.609999999999999 113.61 -176.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -132.08 157.24 44.7 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.004 -1.48 . . . . 44.409999999999997 107.004 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -123.9 142.37 51.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.284 -1.006 . . . . 63.479999999999997 108.284 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -129.44 128.95 43.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.949 -1.5 . . . . 56.880000000000003 106.949 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -105.94 121.64 44.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.292 -0.633 . . . . 83.730000000000004 109.292 172.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 54.2 -127.49 39.08 Favored Glycine 0 N--CA 1.461 0.359 0 C-N-CA 121.301 -0.476 . . . . 50.710000000000001 112.848 -175.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -105.07 19.03 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.52 -0.4 . . . . 59.979999999999997 110.447 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -71.97 167.01 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 94.459999999999994 110.003 -179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -68.6 136.0 90.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.99 -0.745 . . . . 94.790000000000006 108.99 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -60.95 143.27 99.31 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 121.288 1.325 . . . . 50.189999999999998 111.473 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -124.65 139.15 54.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.142 -0.688 . . . . 105.64 109.142 179.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 165' ' ' HOH . 59.6 tt0 -64.57 143.31 58.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.605 -0.887 . . . . 84.670000000000002 108.605 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 48.7 mt -80.82 141.61 34.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.308 -0.405 . . . . 45.840000000000003 110.113 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.49 158.67 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.15 -0.685 . . . . 47.719999999999999 109.15 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.4 t -68.19 -32.84 73.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.439 0.533 . . . . 53.07 112.439 -169.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 51.7 51.35 16.83 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.451 0.643 . . . . 60.899999999999999 110.419 -171.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.33 34.46 18.46 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.023 -0.989 . . . . 37.579999999999998 112.969 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.72 0.86 64.04 Favored Glycine 0 N--CA 1.459 0.216 0 N-CA-C 115.553 0.981 . . . . 28.43 115.553 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -72.79 -32.54 65.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.443 0.621 . . . . 36.130000000000003 109.847 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 76.3 mt -122.67 116.0 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.737 -1.579 . . . . 36.07 106.737 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -127.67 133.69 67.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-O 121.234 0.54 . . . . 39.170000000000002 111.752 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -107.84 124.99 50.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.351 -0.841 . . . . 37.130000000000003 109.002 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 66.9 p -129.04 166.28 19.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.324 0.583 . . . . 39.640000000000001 110.76 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.663 ' OE1' ' O ' ' A' ' 223' ' ' HOH . 34.8 tt0 -122.43 125.02 44.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.384 -0.969 . . . . 52.700000000000003 108.384 178.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' A' ' 227' ' ' HOH . 35.6 t-20 -115.46 77.29 1.07 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.944 -1.132 . . . . 120.20999999999999 107.944 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.44 -107.38 2.13 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 116.308 -0.405 . . . . 59.280000000000001 112.782 -172.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.8 m -96.68 -10.46 26.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.311 . . . . 70.590000000000003 110.67 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.37 136.18 35.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.84 -0.618 . . . . 31.710000000000001 111.506 -176.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 72' ' ' ALA . 84.0 m-85 -105.27 127.37 52.91 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.487 -0.779 . . . . 44.75 109.154 177.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.8 m -117.36 136.77 52.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.463 0.649 . . . . 26.079999999999998 111.177 -172.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.94 126.36 54.65 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 107.332 -1.358 . . . . 26.309999999999999 107.332 174.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.0 m -113.71 123.13 49.14 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.053 -0.721 . . . . 27.300000000000001 109.053 175.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.0 mt -113.47 117.5 55.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 N-CA-C 107.97 -1.122 . . . . 28.57 107.97 175.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.88 160.68 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.519 -0.309 . . . . 48.469999999999999 110.263 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.5 t30 46.53 56.41 6.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.114 0.959 . . . . 41.789999999999999 111.242 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.695 HD11 HG13 ' A' ' 61' ' ' VAL . 26.8 mt -59.64 136.17 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 114.529 -1.214 . . . . 33.539999999999999 111.62 -174.293 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -141.84 -176.19 4.68 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.592 -0.731 . . . . 64.950000000000003 111.639 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -54.04 -38.97 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.551 0.945 . . . . 41.689999999999998 113.551 -169.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.71 -11.3 53.82 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.675 0.621 . . . . 66.760000000000005 112.675 -175.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.1 -14.59 46.67 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.577 0.584 . . . . 37.25 112.577 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -52.52 133.41 35.66 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.586 -0.894 . . . . 31.699999999999999 108.586 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.43 31.56 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.2 -1.0 . . . . 27.32 111.622 171.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 mm -105.6 128.68 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.641 -0.874 . . . . 48.380000000000003 108.641 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -109.45 137.61 47.05 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.675 0.75 . . . . 25.890000000000001 110.309 -177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' PHE . . . . . 1.315 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 42.1 p90 -147.79 152.81 38.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.089 -0.644 . . . . 72.859999999999999 111.761 177.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 75' ' ' TRP . 90.0 m -95.95 142.96 27.56 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.276 -1.329 . . . . 33.340000000000003 111.32 174.1 -68.207 179.851 -86.673 104.144 2.038 105.187 -156.082 67.393 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LYS . . . . . 1.315 ' HE3' ' CE1' ' A' ' 119' ' ' PHE . 88.0 mttt -133.19 154.87 50.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.564 -1.272 . . . . 89.969999999999999 107.564 174.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -56.76 129.43 41.22 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.357 -0.608 . . . . 86.930000000000007 109.357 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -53.17 60.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.352 0.596 . . . . 76.099999999999994 110.749 -175.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' CYS . . . . . 1.035 ' SG ' ' SG2' ' A' ' 900' ' ' GSH . 85.0 m -119.32 124.07 45.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.064 -1.458 . . . . 68.400000000000006 107.064 174.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -130.15 117.18 19.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.73 -0.471 . . . . 101.81999999999999 109.73 -172.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.554 -0.748 . . . . 96.579999999999998 111.017 176.063 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' SER . . . . . 0.531 ' HB3' ' O ' ' A' ' 225' ' ' HOH . 35.9 t . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.063 -0.347 . . . . 84.010000000000005 110.063 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.469 ' HB2' ' NH2' ' A' ' 51' ' ' ARG . 20.0 p -95.68 160.83 14.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.05 -0.523 . . . . 63.340000000000003 109.976 177.153 70.019 -176.231 89.937 102.988 2.033 103.866 -75.384 -72.97 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -137.96 175.15 21.5 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.866 -0.683 . . . . 33.82 112.018 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 68.6 m -123.32 119.07 29.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.391 -0.966 . . . . 26.780000000000001 108.391 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -90.85 132.47 35.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.368 -0.378 . . . . 51.969999999999999 109.989 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.0 tp -112.94 123.49 50.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.858 -1.164 . . . . 25.550000000000001 107.858 172.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 43.6 tp -111.95 124.93 53.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.331 1.02 . . . . 38.920000000000002 108.945 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 25.1 t -95.99 118.69 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 116.357 -0.383 . . . . 35.75 110.065 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 108.923 -0.769 . . . . 59.990000000000002 108.923 -175.998 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 800' ' ' FLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 900' ' ' GSH . . . . . 1.035 ' SG2' ' SG ' ' A' ' 124' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . 0.485 ' O ' ' HG3' ' A' ' 86' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . 0.833 ' O ' ' OG ' ' A' ' 70' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . 0.663 ' O ' ' OE1' ' A' ' 98' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . 0.531 ' O ' ' HB3' ' A' ' 134' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . 0.523 ' O ' ' HB3' ' A' ' 99' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_