data_4pll_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 4pll _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 ' 51' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.29 0.567 . . . . 132.42 110.419 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -137.42 128.53 27.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.53 -0.915 . . . . 90.96 108.53 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.73 148.96 47.42 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.434 -0.507 . . . . 105.66 110.126 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -65.23 150.41 48.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.806 -0.358 . . . . 86.5 110.574 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . 0.603 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . . . 78.33 -5.73 54.28 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.119 0.262 . . . . 73.68 113.314 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 79.7 tt0 -74.61 133.46 42.18 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.202 0.525 . . . . 85.0 111.723 -175.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -82.88 134.5 35.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 119.962 -0.695 . . . . 110.4 110.183 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.67 -176.07 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 114.643 -1.162 . . . . 65.74 110.326 -171.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.6 mt -116.99 120.11 37.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.251 -0.431 . . . . 70.44 110.646 167.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.7 130.66 56.85 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.14 -1.024 . . . . 50.87 113.235 -174.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -84.47 117.49 23.7 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 112.247 0.462 . . . . 71.43 112.247 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -124.04 122.43 37.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.201 -1.407 . . . . 63.44 107.201 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.6 m 60.11 -132.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.478 -0.934 . . . . 88.02 108.478 -172.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -25.42 53.32 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 116.429 2.011 . . . . 106.66 116.429 -172.707 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.3 p -128.42 168.04 16.16 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 115.183 1.549 . . . . 71.65 115.183 -175.521 69.764 161.414 -89.082 124.487 2.014 91.366 140.322 59.88 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -89.98 142.92 27.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.437 -0.801 . . . . 64.8 110.815 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -118.63 152.2 36.51 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 109.012 -0.736 . . . . 59.46 109.012 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' O ' ' O ' ' A' ' 201' ' ' HOH . 10.6 tt0 -79.06 125.83 29.91 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 116.484 -2.086 . . . . 102.63 108.96 177.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -132.88 174.81 9.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.358 -0.837 . . . . 60.81 112.287 -170.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tttm -135.63 138.01 42.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.071 -0.968 . . . . 93.21 109.243 177.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 55' ' ' GLY . 17.4 t -85.91 120.9 36.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 C-N-CA 120.8 -0.36 . . . . 69.22 110.589 -175.575 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -97.18 -40.06 8.97 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.801 0.334 . . . . 66.67 111.075 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -139.34 149.57 44.35 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.468 0.652 . . . . 66.52 110.661 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.9 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.1 -1.074 . . . . 68.84 108.1 168.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.36 148.17 40.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.803 0.811 . . . . 70.35 110.734 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.0 135.2 55.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.779 -1.101 . . . . 75.06 109.673 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -166.19 147.9 6.8 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 109.726 -0.472 . . . . 80.54 109.726 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 51.49 38.29 21.73 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.476 1.11 . . . . 104.3 112.623 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 72.17 29.03 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.629 0.974 . . . . 117.51 113.629 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.83 145.76 18.73 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 116.398 1.999 . . . . 89.29 116.398 -175.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -79.52 144.63 33.76 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.441 -1.709 . . . . 87.67 111.599 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -145.32 138.72 26.54 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 108.479 -0.934 . . . . 63.15 108.479 170.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -120.46 120.09 34.89 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.01 -0.431 . . . . 91.18 111.983 -171.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -80.82 126.26 31.11 Favored 'General case' 0 C--O 1.247 0.965 0 N-CA-C 106.781 -1.562 . . . . 52.91 106.781 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.7 153.07 33.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 114.548 1.314 . . . . 47.66 114.548 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -104.53 137.16 42.79 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.206 -1.361 . . . . 47.54 107.379 172.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -97.26 113.73 25.39 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 123.646 0.591 . . . . 48.06 109.887 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.61 130.68 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 O-C-N 124.538 1.149 . . . . 53.29 108.96 -175.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.71 -12.41 64.43 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.71 -0.757 . . . . 48.66 114.763 -172.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -128.98 128.83 44.5 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.115 0.484 . . . . 53.19 110.979 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -29.62 165.54 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 119.033 2.975 . . . . 52.73 119.033 166.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -57.62 -33.37 68.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.378 -0.828 . . . . 102.12 108.981 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.3 m -44.68 -39.47 5.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.268 0.556 . . . . 54.45 111.959 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -93.03 -6.53 48.05 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.21 -0.905 . . . . 53.98 111.4 -170.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -56.23 138.75 49.71 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 109.379 -0.6 . . . . 52.86 109.379 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -155.23 157.96 38.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.618 1.34 . . . . 63.83 114.618 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -74.73 145.5 42.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 112.552 0.575 . . . . 52.8 112.552 171.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.7 pt -149.76 158.72 5.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 122.508 0.323 . . . . 48.49 111.457 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -89.25 166.96 13.46 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.285 0.564 . . . . 64.99 112.401 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 tp -52.19 -41.87 63.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.231 -0.895 . . . . 87.82 112.06 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -40.64 -41.68 1.55 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.962 0.505 . . . . 94.07 112.127 179.387 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' CYS . . . . . 0.773 ' SG ' ' O ' ' A' ' 205' ' ' HOH . 83.0 m -89.1 -1.81 58.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.713 -1.13 . . . . 76.58 112.77 -167.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.1 mt -98.79 147.76 24.58 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.543 0.687 . . . . 68.39 111.348 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -139.98 128.55 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.2 -0.909 . . . . 77.08 108.876 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 56' ' ' GLU . 35.5 mmtt -53.14 141.03 24.16 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.314 1.045 . . . . 92.96 111.463 173.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 68' ' ' GLU . 2.1 t-160 . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 114.571 -2.852 . . . . 124.08 110.889 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.615 0.721 . . . . 134.06 111.137 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.81 137.1 54.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.844 -1.539 . . . . 116.69 106.844 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.13 149.73 29.02 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 118.965 -1.094 . . . . 126.96 109.362 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.56 149.86 28.79 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.46 -0.941 . . . . 101.01 108.46 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' B' ' 71' ' ' VAL . . . 78.57 -8.25 42.93 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 114.658 0.623 . . . . 101.65 114.658 -178.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.94 156.99 29.36 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.027 0.442 . . . . 104.63 111.254 -176.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.22 123.25 49.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.628 0.727 . . . . 134.56 109.229 175.472 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -142.8 177.65 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 114.594 -1.185 . . . . 94.55 111.297 -171.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 15.8 mt -100.0 127.66 46.19 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.553 -0.749 . . . . 81.45 109.546 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -122.63 119.15 29.91 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.878 -0.601 . . . . 71.91 112.049 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' B' ' 63' ' ' SER . 14.4 tttp -72.61 115.72 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.495 0.554 . . . . 93.33 112.495 -174.145 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HIS . . . . . 0.442 ' O ' ' OG ' ' B' ' 63' ' ' SER . 7.6 t-80 -118.15 110.96 18.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.8 -0.815 . . . . 97.94 108.8 168.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . 0.453 ' O ' ' NZ ' ' B' ' 61' ' ' LYS . 84.0 p 62.91 -123.8 0.62 Allowed 'General case' 0 C--O 1.238 0.454 0 O-C-N 123.758 0.662 . . . . 89.02 111.473 179.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 64' ' ' ASP . 1.0 OUTLIER -57.52 -34.27 68.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.908 1.077 . . . . 99.8 113.908 179.699 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -144.97 164.14 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 118.069 2.618 . . . . 75.14 118.069 -160.088 59.88 140.322 -89.082 91.366 2.014 124.487 161.414 69.764 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -97.55 112.84 24.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.364 -1.289 . . . . 82.23 112.208 -174.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -84.98 154.06 22.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.49 . . . . 79.05 109.678 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -83.6 133.39 34.85 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.662 -1.607 . . . . 100.9 106.662 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -144.53 164.34 31.18 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.705 -0.679 . . . . 87.46 111.839 -169.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' B' ' 86' ' ' HIS . 2.9 mtpt -111.9 124.07 51.59 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.64 -1.164 . . . . 106.08 109.616 178.569 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' B' ' 55' ' ' GLY . 1.4 m -81.45 115.35 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 107.392 -1.336 . . . . 91.43 107.392 177.415 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 84' ' ' PHE . 81.8 mt -80.38 -63.08 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.708 -1.219 . . . . 89.53 107.708 179.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -124.38 148.28 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.151 1.167 . . . . 107.04 114.151 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -113.6 129.45 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.815 -1.084 . . . . 76.92 111.0 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -137.27 154.82 50.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.118 0.961 . . . . 79.08 112.734 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.69 127.86 44.43 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.993 -1.114 . . . . 88.67 107.993 169.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -163.25 152.82 15.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.843 -1.169 . . . . 95.49 107.843 -171.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 49.35 46.38 23.16 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.198 -0.668 . . . . 106.63 109.198 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 52.9 11.23 0.19 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 116.732 2.123 . . . . 100.83 116.732 -170.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -144.23 150.34 37.81 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 116.268 -2.173 . . . . 112.51 116.701 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -66.63 150.45 49.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 114.594 -1.184 . . . . 86.71 113.291 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -154.64 147.29 24.23 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.695 -1.594 . . . . 96.68 106.695 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -133.35 130.72 39.2 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 120.314 -0.554 . . . . 85.03 110.02 -167.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' B' ' 72' ' ' LEU . 28.0 t80 -95.62 115.11 26.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.447 -1.316 . . . . 82.33 107.447 175.458 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.05 146.81 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 116.085 -0.507 . . . . 82.12 111.678 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' B' ' 70' ' ' LYS . 46.4 t60 -110.97 123.94 51.16 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.812 -0.81 . . . . 92.99 108.812 168.205 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -73.16 120.13 18.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.265 -0.88 . . . . 98.33 110.609 174.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mm -58.98 137.49 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 112.114 0.413 . . . . 93.09 112.114 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.13 34.99 87.99 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-O 121.221 0.345 . . . . 113.33 113.635 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -144.33 169.47 17.85 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.238 0.542 . . . . 123.74 111.029 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ASN . . . . . 0.612 ' ND2' ' OG ' ' B' ' 93' ' ' SER . 30.8 t-20 -56.33 159.44 3.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 116.72 112.505 177.164 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -86.21 -17.84 33.73 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 107.261 -1.385 . . . . 106.8 107.261 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . 0.612 ' OG ' ' ND2' ' B' ' 91' ' ' ASN . 21.4 p -72.35 -24.79 61.34 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.371 -0.974 . . . . 119.39 108.371 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' TRP . . . . . 0.442 ' CD1' ' N ' ' B' ' 91' ' ' ASN . 5.0 m95 -66.23 -26.39 67.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.182 -0.917 . . . . 141.69 109.943 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ASP . . . . . 0.538 ' OD1' ' ND1' ' B' ' 86' ' ' HIS . 2.0 m-20 -57.45 133.56 55.3 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.7 -0.481 . . . . 112.65 109.7 179.637 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -145.66 165.02 29.96 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.721 0.772 . . . . 105.99 113.014 -173.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -85.63 137.19 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.014 -1.476 . . . . 86.19 107.014 169.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 42.3 pt -141.84 149.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 82.65 111.027 -177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -75.07 161.03 29.79 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.693 -0.685 . . . . 130.84 110.933 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.13 -25.75 65.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.259 0.481 . . . . 93.73 110.347 -172.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' B' ' 101' ' ' ASP . 0.4 OUTLIER -43.04 -59.23 2.1 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.519 1.152 . . . . 101.53 109.942 173.174 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' CYS . . . . . 0.677 ' SG ' ' O ' ' B' ' 202' ' ' HOH . 67.2 m -65.76 -17.13 64.4 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 112.473 -2.149 . . . . 99.42 112.64 -166.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.9 tp -89.35 146.46 24.67 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.349 0.595 . . . . 84.3 111.237 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -138.53 131.06 29.0 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.58 -1.191 . . . . 83.12 111.761 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.36 154.77 4.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.31 -1.768 . . . . 119.25 109.968 178.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--N 1.327 -0.392 0 C-N-CA 120.251 -0.579 . . . . 123.28 111.492 172.447 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.06 0 N-CA-C 111.543 0.201 . . . . 97.48 111.543 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.618 0 CA-C-O 117.402 -1.285 . . . . 101.46 112.334 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.668 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.773 ' O ' ' SG ' ' A' ' 102' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.677 ' O ' ' SG ' ' B' ' 102' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.29 0.567 . . . . 132.41999999999999 110.419 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -137.42 128.53 27.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.53 -0.915 . . . . 90.959999999999994 108.53 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.73 148.96 47.42 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.434 -0.507 . . . . 105.66 110.126 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -65.23 150.41 48.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.806 -0.358 . . . . 86.5 110.574 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . 0.595 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . . . 78.33 -5.73 54.28 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.119 0.262 . . . . 73.680000000000007 113.314 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 79.7 tt0 -74.61 133.46 42.18 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.202 0.525 . . . . 85.0 111.723 -175.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -82.88 134.5 35.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 119.962 -0.695 . . . . 110.40000000000001 110.183 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.67 -176.07 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 114.643 -1.162 . . . . 65.739999999999995 110.326 -171.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 68' ' ' GLU . 71.6 mt -116.99 120.11 37.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.251 -0.431 . . . . 70.439999999999998 110.646 167.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.7 130.66 56.85 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.14 -1.024 . . . . 50.869999999999997 113.235 -174.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -84.47 117.49 23.7 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 112.247 0.462 . . . . 71.430000000000007 112.247 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -124.04 122.43 37.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.201 -1.407 . . . . 63.439999999999998 107.201 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.6 m 60.11 -132.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.478 -0.934 . . . . 88.019999999999996 108.478 -172.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -25.42 53.32 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 116.429 2.011 . . . . 106.66 116.429 -172.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.3 p -128.42 168.04 16.16 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 115.183 1.549 . . . . 71.650000000000006 115.183 -175.521 69.764 161.414 -89.082 124.487 2.014 91.366 140.322 59.88 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -89.98 142.92 27.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.437 -0.801 . . . . 64.799999999999997 110.815 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -118.63 152.2 36.51 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 109.012 -0.736 . . . . 59.460000000000001 109.012 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' O ' ' O ' ' A' ' 201' ' ' HOH . 10.6 tt0 -79.06 125.83 29.91 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 116.484 -2.086 . . . . 102.63 108.96 177.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -132.88 174.81 9.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.358 -0.837 . . . . 60.810000000000002 112.287 -170.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . 0.595 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tttm -135.63 138.01 42.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.071 -0.968 . . . . 93.209999999999994 109.243 177.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.4 t -85.91 120.9 36.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 C-N-CA 120.8 -0.36 . . . . 69.219999999999999 110.589 -175.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -97.18 -40.06 8.97 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.801 0.334 . . . . 66.670000000000002 111.075 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -139.34 149.57 44.35 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.468 0.652 . . . . 66.519999999999996 110.661 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.9 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.1 -1.074 . . . . 68.840000000000003 108.1 168.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.36 148.17 40.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.803 0.811 . . . . 70.349999999999994 110.734 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.0 135.2 55.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.779 -1.101 . . . . 75.060000000000002 109.673 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -166.19 147.9 6.8 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 109.726 -0.472 . . . . 80.540000000000006 109.726 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 51.49 38.29 21.73 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.476 1.11 . . . . 104.3 112.623 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 72.17 29.03 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.629 0.974 . . . . 117.51000000000001 113.629 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.83 145.76 18.73 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 116.398 1.999 . . . . 89.290000000000006 116.398 -175.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -79.52 144.63 33.76 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.441 -1.709 . . . . 87.670000000000002 111.599 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -145.32 138.72 26.54 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 108.479 -0.934 . . . . 63.149999999999999 108.479 170.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -120.46 120.09 34.89 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.01 -0.431 . . . . 91.180000000000007 111.983 -171.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -80.82 126.26 31.11 Favored 'General case' 0 C--O 1.247 0.965 0 N-CA-C 106.781 -1.562 . . . . 52.909999999999997 106.781 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.7 153.07 33.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 114.548 1.314 . . . . 47.659999999999997 114.548 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -104.53 137.16 42.79 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.206 -1.361 . . . . 47.539999999999999 107.379 172.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -97.26 113.73 25.39 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 123.646 0.591 . . . . 48.060000000000002 109.887 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.61 130.68 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 O-C-N 124.538 1.149 . . . . 53.289999999999999 108.96 -175.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.71 -12.41 64.43 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.71 -0.757 . . . . 48.659999999999997 114.763 -172.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -128.98 128.83 44.5 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.115 0.484 . . . . 53.189999999999998 110.979 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -29.62 165.54 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 119.033 2.975 . . . . 52.729999999999997 119.033 166.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -57.62 -33.37 68.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.378 -0.828 . . . . 102.12 108.981 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.3 m -44.68 -39.47 5.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.268 0.556 . . . . 54.450000000000003 111.959 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -93.03 -6.53 48.05 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.21 -0.905 . . . . 53.979999999999997 111.4 -170.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -56.23 138.75 49.71 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 109.379 -0.6 . . . . 52.859999999999999 109.379 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -155.23 157.96 38.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.618 1.34 . . . . 63.829999999999998 114.618 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -74.73 145.5 42.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 112.552 0.575 . . . . 52.799999999999997 112.552 171.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.7 pt -149.76 158.72 5.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 122.508 0.323 . . . . 48.490000000000002 111.457 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -89.25 166.96 13.46 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.285 0.564 . . . . 64.989999999999995 112.401 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 tp -52.19 -41.87 63.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.231 -0.895 . . . . 87.819999999999993 112.06 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -40.64 -41.68 1.55 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.962 0.505 . . . . 94.069999999999993 112.127 179.387 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 102' ' ' CYS . . . . . 0.773 ' SG ' ' O ' ' A' ' 205' ' ' HOH . 83.0 m -89.1 -1.81 58.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.713 -1.13 . . . . 76.579999999999998 112.77 -167.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.1 mt -98.79 147.76 24.58 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.543 0.687 . . . . 68.390000000000001 111.348 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 104' ' ' LEU . 4.8 mt -139.98 128.55 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.2 -0.909 . . . . 77.079999999999998 108.876 175.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 56' ' ' GLU . 35.5 mmtt -53.14 141.03 24.16 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.314 1.045 . . . . 92.959999999999994 111.463 173.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 114.571 -2.852 . . . . 124.08 110.889 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HIS . . . . . 0.487 ' N ' ' HH ' ' B' ' 83' ' ' TYR . 1.6 t-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.615 0.721 . . . . 134.06 111.137 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' PHE . . . . . 0.51 ' HD2' HG11 ' B' ' 58' ' ' VAL . 3.4 m-85 -124.81 137.1 54.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.844 -1.539 . . . . 116.69 106.844 175.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.13 149.73 29.02 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 118.965 -1.094 . . . . 126.95999999999999 109.362 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . 0.401 ' HA ' HG22 ' B' ' 71' ' ' VAL . 99.4 mt-10 -59.56 149.86 28.79 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.46 -0.941 . . . . 101.01000000000001 108.46 -179.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 71' ' ' VAL . . . 78.57 -8.25 42.93 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 114.658 0.623 . . . . 101.65000000000001 114.658 -178.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.94 156.99 29.36 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.027 0.442 . . . . 104.63 111.254 -176.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ARG . . . . . 0.53 HH11 HD12 ' B' ' 88' ' ' ILE . 0.7 OUTLIER -111.22 123.25 49.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.628 0.727 . . . . 134.56 109.229 175.472 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 58' ' ' VAL . . . . . 0.51 HG11 ' HD2' ' B' ' 52' ' ' PHE . 30.5 m -142.8 177.65 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 114.594 -1.185 . . . . 94.549999999999997 111.297 -171.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 15.8 mt -100.0 127.66 46.19 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.553 -0.749 . . . . 81.450000000000003 109.546 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -122.63 119.15 29.91 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.878 -0.601 . . . . 71.909999999999997 112.049 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.61 115.72 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.495 0.554 . . . . 93.329999999999998 112.495 -174.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.15 110.96 18.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.8 -0.815 . . . . 97.939999999999998 108.8 168.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 84.0 p 62.91 -123.8 0.62 Allowed 'General case' 0 C--O 1.238 0.454 0 O-C-N 123.758 0.662 . . . . 89.019999999999996 111.473 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 64' ' ' ASP . 1.0 OUTLIER -57.52 -34.27 68.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.908 1.077 . . . . 99.799999999999997 113.908 179.699 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -144.97 164.14 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 118.069 2.618 . . . . 75.140000000000001 118.069 -160.088 59.88 140.322 -89.082 91.366 2.014 124.487 161.414 69.764 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -97.55 112.84 24.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.364 -1.289 . . . . 82.230000000000004 112.208 -174.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -84.98 154.06 22.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.49 . . . . 79.049999999999997 109.678 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -83.6 133.39 34.85 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.662 -1.607 . . . . 100.90000000000001 106.662 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -144.53 164.34 31.18 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.705 -0.679 . . . . 87.459999999999994 111.839 -169.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -111.9 124.07 51.59 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.64 -1.164 . . . . 106.08 109.616 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' B' ' 55' ' ' GLY . 1.4 m -81.45 115.35 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 107.392 -1.336 . . . . 91.430000000000007 107.392 177.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LEU . . . . . 0.456 HD12 ' CD2' ' B' ' 84' ' ' PHE . 81.8 mt -80.38 -63.08 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.708 -1.219 . . . . 89.530000000000001 107.708 179.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -124.38 148.28 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.151 1.167 . . . . 107.04000000000001 114.151 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -113.6 129.45 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.815 -1.084 . . . . 76.920000000000002 111.0 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLU . . . . . 0.434 ' OE1' ' HE3' ' B' ' 82' ' ' LYS . 42.5 mt-10 -137.27 154.82 50.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.118 0.961 . . . . 79.079999999999998 112.734 -179.534 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.69 127.86 44.43 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.993 -1.114 . . . . 88.670000000000002 107.993 169.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -163.25 152.82 15.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.843 -1.169 . . . . 95.489999999999995 107.843 -171.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 49.35 46.38 23.16 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.198 -0.668 . . . . 106.63 109.198 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 52.9 11.23 0.19 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 116.732 2.123 . . . . 100.83 116.732 -170.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -144.23 150.34 37.81 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 116.268 -2.173 . . . . 112.51000000000001 116.701 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -66.63 150.45 49.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 114.594 -1.184 . . . . 86.709999999999994 113.291 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LYS . . . . . 0.613 ' HG3' ' CE3' ' B' ' 97' ' ' TRP . 4.3 pttp -154.64 147.29 24.23 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.695 -1.594 . . . . 96.680000000000007 106.695 -178.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TYR . . . . . 0.487 ' HH ' ' N ' ' B' ' 51' ' ' HIS . 21.2 m-85 -133.35 130.72 39.2 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 120.314 -0.554 . . . . 85.030000000000001 110.02 -167.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' PHE . . . . . 0.456 ' CD2' HD12 ' B' ' 72' ' ' LEU . 28.0 t80 -95.62 115.11 26.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.447 -1.316 . . . . 82.329999999999998 107.447 175.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.05 146.81 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 116.085 -0.507 . . . . 82.120000000000005 111.678 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HIS . . . . . 0.51 ' ND1' ' OD1' ' B' ' 95' ' ' ASP . 46.4 t60 -110.97 123.94 51.16 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.812 -0.81 . . . . 92.989999999999995 108.812 168.205 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' TYR . . . . . 0.573 ' CD2' HM21 ' D' ' 36' ' ' M3L . 45.2 m-85 -73.16 120.13 18.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.265 -0.88 . . . . 98.329999999999998 110.609 174.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ILE . . . . . 0.53 HD12 HH11 ' B' ' 57' ' ' ARG . 1.5 mm -58.98 137.49 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 112.114 0.413 . . . . 93.090000000000003 112.114 -178.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.13 34.99 87.99 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-O 121.221 0.345 . . . . 113.33 113.635 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' TRP . . . . . 0.693 ' HB3' ' HD1' ' B' ' 94' ' ' TRP . 90.2 m95 -144.33 169.47 17.85 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.238 0.542 . . . . 123.73999999999999 111.029 -179.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ASN . . . . . 0.687 HD21 ' H ' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -56.33 159.44 3.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 116.72 112.505 177.164 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 92' ' ' LYS . . . . . 0.687 ' H ' HD21 ' B' ' 91' ' ' ASN . 6.0 mmtt -86.21 -17.84 33.73 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 107.261 -1.385 . . . . 106.8 107.261 -178.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.4 p -72.35 -24.79 61.34 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.371 -0.974 . . . . 119.39 108.371 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' TRP . . . . . 0.693 ' HD1' ' HB3' ' B' ' 90' ' ' TRP . 5.0 m95 -66.23 -26.39 67.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.182 -0.917 . . . . 141.69 109.943 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' ND1' ' B' ' 86' ' ' HIS . 2.0 m-20 -57.45 133.56 55.3 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.7 -0.481 . . . . 112.65000000000001 109.7 179.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 94' ' ' TRP . 2.2 pt-20 -145.66 165.02 29.96 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.721 0.772 . . . . 105.98999999999999 113.014 -173.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TRP . . . . . 0.613 ' CE3' ' HG3' ' B' ' 82' ' ' LYS . 98.9 m95 -85.63 137.19 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.014 -1.476 . . . . 86.189999999999998 107.014 169.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 42.3 pt -141.84 149.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 82.650000000000006 111.027 -177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -75.07 161.03 29.79 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.693 -0.685 . . . . 130.84 110.933 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.13 -25.75 65.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.259 0.481 . . . . 93.730000000000004 110.347 -172.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' B' ' 101' ' ' ASP . 0.4 OUTLIER -43.04 -59.23 2.1 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.519 1.152 . . . . 101.53 109.942 173.174 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 102' ' ' CYS . . . . . 0.677 ' SG ' ' O ' ' B' ' 202' ' ' HOH . 67.2 m -65.76 -17.13 64.4 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 112.473 -2.149 . . . . 99.420000000000002 112.64 -166.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.9 tp -89.35 146.46 24.67 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.349 0.595 . . . . 84.299999999999997 111.237 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -138.53 131.06 29.0 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.58 -1.191 . . . . 83.120000000000005 111.761 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' B' ' 105' ' ' LYS . 0.0 OUTLIER -54.36 154.77 4.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.31 -1.768 . . . . 119.25 109.968 178.733 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.327 -0.392 0 C-N-CA 120.251 -0.579 . . . . 123.28 111.492 172.447 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.06 0 N-CA-C 111.543 0.201 . . . . 97.480000000000004 111.543 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' M3L . . . . . 0.573 HM21 ' CD2' ' B' ' 87' ' ' TYR . . . . . . . . 0 C--O 1.26 1.618 0 CA-C-O 117.402 -1.285 . . . . 101.45999999999999 112.334 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.668 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.773 ' O ' ' SG ' ' A' ' 102' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.677 ' O ' ' SG ' ' B' ' 102' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.29 0.567 . . . . 132.41999999999999 110.419 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -137.42 128.53 27.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.53 -0.915 . . . . 90.959999999999994 108.53 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.73 148.96 47.42 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.434 -0.507 . . . . 105.66 110.126 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -65.23 150.41 48.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.806 -0.358 . . . . 86.5 110.574 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.595 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . . . 78.33 -5.73 54.28 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.119 0.262 . . . . 73.680000000000007 113.314 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 79.7 tt0 -74.61 133.46 42.18 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.202 0.525 . . . . 85.0 111.723 -175.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -82.88 134.5 35.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 119.962 -0.695 . . . . 110.40000000000001 110.183 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.67 -176.07 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 114.643 -1.162 . . . . 65.739999999999995 110.326 -171.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 68' ' ' GLU . 71.6 mt -116.99 120.11 37.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.251 -0.431 . . . . 70.439999999999998 110.646 167.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.7 130.66 56.85 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.14 -1.024 . . . . 50.869999999999997 113.235 -174.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -84.47 117.49 23.7 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 112.247 0.462 . . . . 71.430000000000007 112.247 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -124.04 122.43 37.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.201 -1.407 . . . . 63.439999999999998 107.201 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.6 m 60.11 -132.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.478 -0.934 . . . . 88.019999999999996 108.478 -172.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -25.42 53.32 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 116.429 2.011 . . . . 106.66 116.429 -172.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.3 p -128.42 168.04 16.16 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 115.183 1.549 . . . . 71.650000000000006 115.183 -175.521 69.764 161.414 -89.082 124.487 2.014 91.366 140.322 59.88 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -89.98 142.92 27.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.437 -0.801 . . . . 64.799999999999997 110.815 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -118.63 152.2 36.51 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 109.012 -0.736 . . . . 59.460000000000001 109.012 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' O ' ' O ' ' A' ' 201' ' ' HOH . 10.6 tt0 -79.06 125.83 29.91 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 116.484 -2.086 . . . . 102.63 108.96 177.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -132.88 174.81 9.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.358 -0.837 . . . . 60.810000000000002 112.287 -170.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.595 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 2.0 tttm -135.63 138.01 42.45 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.071 -0.968 . . . . 93.209999999999994 109.243 177.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.4 t -85.91 120.9 36.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 C-N-CA 120.8 -0.36 . . . . 69.219999999999999 110.589 -175.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.9 mt -97.18 -40.06 8.97 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.801 0.334 . . . . 66.670000000000002 111.075 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -139.34 149.57 44.35 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.468 0.652 . . . . 66.519999999999996 110.661 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.9 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.1 -1.074 . . . . 68.840000000000003 108.1 168.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.36 148.17 40.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.803 0.811 . . . . 70.349999999999994 110.734 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.0 135.2 55.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.779 -1.101 . . . . 75.060000000000002 109.673 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -166.19 147.9 6.8 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 109.726 -0.472 . . . . 80.540000000000006 109.726 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 51.49 38.29 21.73 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.476 1.11 . . . . 104.3 112.623 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 72.17 29.03 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.629 0.974 . . . . 117.51000000000001 113.629 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.83 145.76 18.73 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 116.398 1.999 . . . . 89.290000000000006 116.398 -175.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -79.52 144.63 33.76 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.441 -1.709 . . . . 87.670000000000002 111.599 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -145.32 138.72 26.54 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 108.479 -0.934 . . . . 63.149999999999999 108.479 170.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -120.46 120.09 34.89 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.01 -0.431 . . . . 91.180000000000007 111.983 -171.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -80.82 126.26 31.11 Favored 'General case' 0 C--O 1.247 0.965 0 N-CA-C 106.781 -1.562 . . . . 52.909999999999997 106.781 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.7 153.07 33.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 114.548 1.314 . . . . 47.659999999999997 114.548 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -104.53 137.16 42.79 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.206 -1.361 . . . . 47.539999999999999 107.379 172.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -97.26 113.73 25.39 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 123.646 0.591 . . . . 48.060000000000002 109.887 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.61 130.68 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 O-C-N 124.538 1.149 . . . . 53.289999999999999 108.96 -175.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.71 -12.41 64.43 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.71 -0.757 . . . . 48.659999999999997 114.763 -172.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -128.98 128.83 44.5 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.115 0.484 . . . . 53.189999999999998 110.979 -177.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -29.62 165.54 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 119.033 2.975 . . . . 52.729999999999997 119.033 166.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -57.62 -33.37 68.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.378 -0.828 . . . . 102.12 108.981 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.3 m -44.68 -39.47 5.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.268 0.556 . . . . 54.450000000000003 111.959 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -93.03 -6.53 48.05 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.21 -0.905 . . . . 53.979999999999997 111.4 -170.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -56.23 138.75 49.71 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 109.379 -0.6 . . . . 52.859999999999999 109.379 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -155.23 157.96 38.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.618 1.34 . . . . 63.829999999999998 114.618 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -74.73 145.5 42.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 112.552 0.575 . . . . 52.799999999999997 112.552 171.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.7 pt -149.76 158.72 5.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 122.508 0.323 . . . . 48.490000000000002 111.457 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -89.25 166.96 13.46 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.285 0.564 . . . . 64.989999999999995 112.401 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 tp -52.19 -41.87 63.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.231 -0.895 . . . . 87.819999999999993 112.06 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -40.64 -41.68 1.55 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.962 0.505 . . . . 94.069999999999993 112.127 179.387 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.773 ' SG ' ' O ' ' A' ' 205' ' ' HOH . 83.0 m -89.1 -1.81 58.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.713 -1.13 . . . . 76.579999999999998 112.77 -167.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.1 mt -98.79 147.76 24.58 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.543 0.687 . . . . 68.390000000000001 111.348 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 104' ' ' LEU . 4.8 mt -139.98 128.55 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.2 -0.909 . . . . 77.079999999999998 108.876 175.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 56' ' ' GLU . 35.5 mmtt -53.14 141.03 24.16 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.314 1.045 . . . . 92.959999999999994 111.463 173.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 68' ' ' GLU . 2.1 t-160 . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 114.571 -2.852 . . . . 124.08 110.889 178.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.487 ' N ' ' HH ' ' B' ' 83' ' ' TYR . 1.6 t-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.615 0.721 . . . . 134.06 111.137 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.51 ' HD2' HG11 ' B' ' 58' ' ' VAL . 3.4 m-85 -124.81 137.1 54.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.844 -1.539 . . . . 116.69 106.844 175.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.13 149.73 29.02 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 118.965 -1.094 . . . . 126.95999999999999 109.362 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.401 ' HA ' HG22 ' B' ' 71' ' ' VAL . 99.4 mt-10 -59.56 149.86 28.79 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.46 -0.941 . . . . 101.01000000000001 108.46 -179.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 71' ' ' VAL . . . 78.57 -8.25 42.93 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 114.658 0.623 . . . . 101.65000000000001 114.658 -178.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.94 156.99 29.36 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.027 0.442 . . . . 104.63 111.254 -176.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.53 HH11 HD12 ' B' ' 88' ' ' ILE . 0.7 OUTLIER -111.22 123.25 49.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.628 0.727 . . . . 134.56 109.229 175.472 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.51 HG11 ' HD2' ' B' ' 52' ' ' PHE . 30.5 m -142.8 177.65 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 114.594 -1.185 . . . . 94.549999999999997 111.297 -171.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 15.8 mt -100.0 127.66 46.19 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.553 -0.749 . . . . 81.450000000000003 109.546 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -122.63 119.15 29.91 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.878 -0.601 . . . . 71.909999999999997 112.049 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.61 115.72 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.495 0.554 . . . . 93.329999999999998 112.495 -174.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -118.15 110.96 18.23 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.8 -0.815 . . . . 97.939999999999998 108.8 168.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 84.0 p 62.91 -123.8 0.62 Allowed 'General case' 0 C--O 1.238 0.454 0 O-C-N 123.758 0.662 . . . . 89.019999999999996 111.473 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 64' ' ' ASP . 1.0 OUTLIER -57.52 -34.27 68.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.908 1.077 . . . . 99.799999999999997 113.908 179.699 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -144.97 164.14 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 118.069 2.618 . . . . 75.140000000000001 118.069 -160.088 59.88 140.322 -89.082 91.366 2.014 124.487 161.414 69.764 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -97.55 112.84 24.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.364 -1.289 . . . . 82.230000000000004 112.208 -174.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -84.98 154.06 22.38 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.49 . . . . 79.049999999999997 109.678 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.567 ' OE2' ' HE1' ' B' ' 106' ' ' HIS . 9.6 mt-10 -83.6 133.39 34.85 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.662 -1.607 . . . . 100.90000000000001 106.662 170.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -144.53 164.34 31.18 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.705 -0.679 . . . . 87.459999999999994 111.839 -169.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -111.9 124.07 51.59 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.64 -1.164 . . . . 106.08 109.616 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' B' ' 55' ' ' GLY . 1.4 m -81.45 115.35 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 107.392 -1.336 . . . . 91.430000000000007 107.392 177.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.456 HD12 ' CD2' ' B' ' 84' ' ' PHE . 81.8 mt -80.38 -63.08 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.708 -1.219 . . . . 89.530000000000001 107.708 179.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -124.38 148.28 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.151 1.167 . . . . 107.04000000000001 114.151 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -113.6 129.45 69.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.815 -1.084 . . . . 76.920000000000002 111.0 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.434 ' OE1' ' HE3' ' B' ' 82' ' ' LYS . 42.5 mt-10 -137.27 154.82 50.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.118 0.961 . . . . 79.079999999999998 112.734 -179.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.69 127.86 44.43 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.993 -1.114 . . . . 88.670000000000002 107.993 169.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -163.25 152.82 15.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.843 -1.169 . . . . 95.489999999999995 107.843 -171.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 49.35 46.38 23.16 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.198 -0.668 . . . . 106.63 109.198 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 52.9 11.23 0.19 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 116.732 2.123 . . . . 100.83 116.732 -170.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -144.23 150.34 37.81 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 116.268 -2.173 . . . . 112.51000000000001 116.701 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -66.63 150.45 49.02 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 114.594 -1.184 . . . . 86.709999999999994 113.291 -177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.613 ' HG3' ' CE3' ' B' ' 97' ' ' TRP . 4.3 pttp -154.64 147.29 24.23 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.695 -1.594 . . . . 96.680000000000007 106.695 -178.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TYR . . . . . 0.487 ' HH ' ' N ' ' B' ' 51' ' ' HIS . 21.2 m-85 -133.35 130.72 39.2 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 120.314 -0.554 . . . . 85.030000000000001 110.02 -167.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.456 ' CD2' HD12 ' B' ' 72' ' ' LEU . 28.0 t80 -95.62 115.11 26.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.447 -1.316 . . . . 82.329999999999998 107.447 175.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.05 146.81 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 116.085 -0.507 . . . . 82.120000000000005 111.678 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.51 ' ND1' ' OD1' ' B' ' 95' ' ' ASP . 46.4 t60 -110.97 123.94 51.16 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.812 -0.81 . . . . 92.989999999999995 108.812 168.205 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.573 ' CD2' HM21 ' D' ' 36' ' ' M3L . 45.2 m-85 -73.16 120.13 18.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.265 -0.88 . . . . 98.329999999999998 110.609 174.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.53 HD12 HH11 ' B' ' 57' ' ' ARG . 1.5 mm -58.98 137.49 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 112.114 0.413 . . . . 93.090000000000003 112.114 -178.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.13 34.99 87.99 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-O 121.221 0.345 . . . . 113.33 113.635 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.693 ' HB3' ' HD1' ' B' ' 94' ' ' TRP . 90.2 m95 -144.33 169.47 17.85 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.238 0.542 . . . . 123.73999999999999 111.029 -179.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.612 ' ND2' ' OG ' ' B' ' 93' ' ' SER . 30.8 t-20 -56.33 159.44 3.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 116.72 112.505 177.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -86.21 -17.84 33.73 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 107.261 -1.385 . . . . 106.8 107.261 -178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . 0.612 ' OG ' ' ND2' ' B' ' 91' ' ' ASN . 21.4 p -72.35 -24.79 61.34 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.371 -0.974 . . . . 119.39 108.371 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.693 ' HD1' ' HB3' ' B' ' 90' ' ' TRP . 5.0 m95 -66.23 -26.39 67.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.182 -0.917 . . . . 141.69 109.943 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' ND1' ' B' ' 86' ' ' HIS . 2.0 m-20 -57.45 133.56 55.3 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.7 -0.481 . . . . 112.65000000000001 109.7 179.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 94' ' ' TRP . 2.2 pt-20 -145.66 165.02 29.96 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.721 0.772 . . . . 105.98999999999999 113.014 -173.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TRP . . . . . 0.613 ' CE3' ' HG3' ' B' ' 82' ' ' LYS . 98.9 m95 -85.63 137.19 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.014 -1.476 . . . . 86.189999999999998 107.014 169.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 42.3 pt -141.84 149.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 82.650000000000006 111.027 -177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -75.07 161.03 29.79 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.693 -0.685 . . . . 130.84 110.933 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.13 -25.75 65.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.259 0.481 . . . . 93.730000000000004 110.347 -172.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' B' ' 101' ' ' ASP . 0.4 OUTLIER -43.04 -59.23 2.1 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.519 1.152 . . . . 101.53 109.942 173.174 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.677 ' SG ' ' O ' ' B' ' 202' ' ' HOH . 67.2 m -65.76 -17.13 64.4 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 112.473 -2.149 . . . . 99.420000000000002 112.64 -166.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 4.9 tp -89.35 146.46 24.67 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.349 0.595 . . . . 84.299999999999997 111.237 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -138.53 131.06 29.0 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.58 -1.191 . . . . 83.120000000000005 111.761 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' B' ' 105' ' ' LYS . 0.0 OUTLIER -54.36 154.77 4.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.31 -1.768 . . . . 119.25 109.968 178.733 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HIS . . . . . 0.567 ' HE1' ' OE2' ' B' ' 68' ' ' GLU . 2.0 t-160 . . . . . 0 C--N 1.327 -0.392 0 C-N-CA 120.251 -0.579 . . . . 123.28 111.492 172.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.06 0 N-CA-C 111.543 0.201 . . . . 97.480000000000004 111.543 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' M3L . . . . . 0.573 HM21 ' CD2' ' B' ' 87' ' ' TYR . . . . . . . . 0 C--O 1.26 1.618 0 CA-C-O 117.402 -1.285 . . . . 101.45999999999999 112.334 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.668 ' O ' ' O ' ' A' ' 68' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.773 ' O ' ' SG ' ' A' ' 102' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.677 ' O ' ' SG ' ' B' ' 102' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_