data_1xt3_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 1xt3 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.073 0.463 . . . . 79.39 111.099 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -126.15 134.81 51.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 75.79 110.304 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -126.21 148.66 49.41 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.17 -0.468 . . . . 37.51 110.719 -179.984 -58.59 -58.266 -85.845 103.668 2.027 104.651 -42.874 -63.277 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -74.15 163.56 27.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.579 -0.448 . . . . 45.13 111.204 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 6' ' ' LEU . 93.6 mttt -105.35 171.19 7.46 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 105.928 -1.878 . . . . 69.02 105.928 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' C ' ' O ' ' A' ' 5' ' ' LYS . 57.0 tp -35.21 -60.13 0.49 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.554 -1.647 . . . . 42.17 106.554 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.5 t -76.12 116.9 59.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 106.715 -1.587 . . . . 48.74 106.715 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -48.65 -39.57 37.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 124.181 3.254 . . . . 60.31 114.934 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.89 2.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.117 1.525 . . . . 60.38 115.117 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -137.88 150.69 47.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.085 0.469 . . . . 49.6 111.017 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -148.2 175.17 11.27 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 115.988 -0.551 . . . . 60.14 109.978 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -146.3 163.43 35.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.576 -0.898 . . . . 92.38 108.576 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.7 m -95.29 125.3 39.83 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 107.535 -1.283 . . . . 57.72 107.535 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.91 141.85 98.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.262 0.553 . . . . 65.9 112.269 -179.095 -60.372 -42.66 -87.305 104.832 2.029 103.058 -101.814 -62.774 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' ALA . 41.0 Cg_endo -78.88 146.94 21.07 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.4 2.067 . . . . 55.89 109.308 179.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -31.28 135.49 0.06 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 123.343 0.402 . . . . 55.59 112.0 -179.397 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' ASN . . . 97.43 -72.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.288 -0.958 . . . . 58.92 112.232 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -52.28 92.7 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.705 -0.85 . . . . 54.41 108.705 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' GLY . 19.8 p30 -105.25 49.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.884 0.698 . . . . 60.81 112.884 -179.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -158.46 155.99 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 115.143 1.535 . . . . 50.68 115.143 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m -116.82 132.48 56.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 104.425 -2.435 . . . . 51.36 104.425 177.727 -63.277 -42.874 -85.845 104.651 2.027 103.668 -58.266 -58.59 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -125.14 160.49 29.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.276 0.56 . . . . 37.71 112.09 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -129.99 145.08 51.63 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 103.583 -2.747 . . . . 50.21 103.583 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.6 ttp -140.4 119.79 13.07 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 117.794 0.27 . . . . 53.88 110.952 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -141.47 162.61 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.826 -0.625 . . . . 43.24 111.137 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.6 mmt -79.2 154.71 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 106.057 -1.831 . . . . 69.26 106.057 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.91 -38.68 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.065 -0.717 . . . . 52.84 109.065 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.19 -59.47 4.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 63.8 111.268 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.6 p -108.68 88.81 5.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.138 -0.689 . . . . 92.76 109.138 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.51 -30.44 18.81 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 124.323 3.349 . . . . 73.27 115.75 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 110' ' ' HOH . 9.3 tptt -89.62 1.85 55.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.914 0.709 . . . . 92.86 112.914 -179.419 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.58 82.83 2.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 53.37 110.096 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -62.06 148.07 93.89 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.624 1.549 . . . . 55.72 111.178 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.16 -2.68 3.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 113.58 0.956 . . . . 56.22 113.58 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -154.04 133.64 12.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.415 -1.328 . . . . 40.0 107.415 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -145.02 144.09 30.83 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.644 0.59 . . . . 40.95 112.047 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.5 -159.57 31.41 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 116.89 1.516 . . . . 30.87 116.89 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -96.89 159.12 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.37 -0.415 . . . . 45.88 111.474 179.467 -62.774 -101.814 -87.305 103.058 2.029 104.832 -42.66 -60.372 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 tp -165.45 155.96 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 112.298 0.481 . . . . 67.34 112.298 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' A' ' 40' ' ' ASP . 4.3 p-10 -84.81 -59.59 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 61.98 111.325 179.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 p -121.64 127.88 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.503 -0.925 . . . . 56.12 108.503 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.68 125.26 45.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.238 0.542 . . . . 45.68 111.67 -178.911 -153.994 70.12 88.834 102.496 2.029 105.174 107.331 -59.674 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -58.86 145.1 97.96 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.487 1.458 . . . . 39.18 110.938 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -65.57 130.43 43.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 91.06 110.29 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 130.36 34.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.524 -0.547 . . . . 44.24 109.524 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.7 p -93.65 -134.16 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.325 -0.398 . . . . 41.52 110.12 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.26 -62.58 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.645 0.259 . . . . 47.13 111.115 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.44 -12.22 54.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.04 0.755 . . . . 39.74 113.04 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -117.83 120.57 65.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.701 0.63 . . . . 32.33 112.701 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -110.34 145.67 37.1 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 114.29 1.219 . . . . 58.7 114.29 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -124.12 126.27 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.255 -1.387 . . . . 55.87 107.255 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -121.7 131.42 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.094 -1.076 . . . . 53.13 108.094 178.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.3 m -130.73 148.34 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.932 0.715 . . . . 60.85 112.932 -178.642 -59.674 107.331 88.834 105.174 2.029 102.496 70.12 -153.994 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.4 p -141.82 166.67 24.08 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 108.582 -0.895 . . . . 55.3 108.582 179.97 50.776 117.345 91.082 103.829 2.023 104.307 91.91 41.709 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.82 14.56 15.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.314 1.227 . . . . 61.54 114.314 -179.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' SG ' ' A' ' 59' ' ' CYS . 36.1 m -101.69 164.33 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 111.66 109.296 179.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.74 126.93 31.45 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.083 0.468 . . . . 81.98 111.28 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 50.7 68.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.435 -0.802 . . . . 68.9 111.578 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 56' ' ' THR . 1.9 p -121.25 -25.94 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.216 -0.661 . . . . 72.64 109.216 179.321 41.709 91.91 91.082 104.307 2.023 103.829 117.345 50.776 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 C--O 1.242 0.71 0 CA-C-O 117.586 -1.197 . . . . 53.74 111.148 -179.743 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 51.7 tp . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.9 -0.408 . . . . 52.23 109.9 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -72.99 114.69 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 132.24 110.213 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m -118.48 127.7 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.419 -0.81 . . . . 77.82 111.616 -179.32 -77.873 -25.38 -89.547 104.92 2.027 104.507 -54.402 -55.195 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -76.7 163.14 27.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.196 -0.602 . . . . 66.9 109.715 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' B' ' 7' ' ' VAL . 93.4 mttt -109.74 179.11 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.959 0.726 . . . . 71.36 112.959 -179.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.2 tp -49.13 -25.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.355 -0.98 . . . . 52.69 108.355 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' B' ' 5' ' ' LYS . 38.9 t -120.19 98.46 48.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 106.353 -1.721 . . . . 90.35 106.353 179.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -35.79 -40.61 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.277 1 C-N-CA 125.312 4.008 . . . . 105.58 116.322 -179.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -53.64 -17.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 64.08 110.98 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -117.61 154.75 31.03 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.277 -0.42 . . . . 69.39 110.334 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.24 131.92 7.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 124.52 109.852 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -117.3 121.9 42.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.938 0.399 . . . . 100.49 111.274 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -50.01 103.49 0.05 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.108 -0.701 . . . . 86.88 109.108 179.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -43.65 114.36 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 109.326 -0.62 . . . . 93.55 109.326 179.892 -91.349 109.03 -100.371 108.642 2.03 105.012 158.542 -77.873 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -59.33 -179.01 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.103 3.202 . . . . 88.93 116.046 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.74 158.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 116.71 110.641 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.24 -69.57 2.5 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.187 -1.165 . . . . 120.02 110.187 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -65.93 111.73 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.08 -0.341 . . . . 117.68 110.08 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -124.18 46.53 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.204 0.526 . . . . 63.26 110.112 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 85.0 mt -160.29 137.23 9.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.558 -0.747 . . . . 72.85 110.476 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.91 133.19 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.162 -2.162 . . . . 80.92 105.162 177.873 -55.195 -54.402 -89.547 104.507 2.027 104.92 -25.38 -77.873 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -125.72 166.29 17.06 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.598 1.333 . . . . 61.51 114.598 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -131.07 134.19 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.845 -2.28 . . . . 58.67 104.845 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' MET . . . . . 0.53 ' O ' ' N ' ' B' ' 34' ' ' VAL . 12.0 ttt -121.31 115.89 23.81 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.136 -0.69 . . . . 44.56 109.136 178.645 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -133.02 162.9 30.46 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 53.18 109.624 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MET . . . . . 0.654 ' O ' ' N ' ' B' ' 29' ' ' THR . 3.1 tmm? -101.18 107.59 19.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.285 -1.376 . . . . 78.02 107.285 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' B' ' 26' ' ' MET . 7.9 p -20.26 -43.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 114.539 1.311 . . . . 76.41 114.539 -179.054 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' B' ' 26' ' ' MET . . . -62.58 -13.26 29.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.461 -0.336 . . . . 85.32 111.639 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . 0.654 ' N ' ' O ' ' B' ' 26' ' ' MET . 56.0 p -150.31 73.82 9.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.158 -0.682 . . . . 78.2 109.158 -179.684 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -59.01 -26.68 82.53 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.62 2.214 . . . . 70.03 116.707 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -90.69 -11.0 41.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 115.264 1.579 . . . . 77.3 115.264 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t -102.68 64.26 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.554 0.216 . . . . 45.42 110.582 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -49.78 144.79 19.56 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 118.69 -0.407 . . . . 49.56 111.522 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' B' ' 24' ' ' MET . 35.5 m -109.63 -9.12 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 52.66 112.301 -179.108 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -157.8 149.27 21.62 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.832 -0.803 . . . . 56.67 108.832 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -156.64 141.94 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.433 -1.691 . . . . 61.29 106.433 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.69 -132.62 2.35 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 116.657 1.423 . . . . 53.93 116.657 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.36 116.39 15.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 122.651 0.38 . . . . 88.99 110.387 -179.933 -55.859 -77.443 -97.62 102.44 2.026 104.289 -31.034 -91.349 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 6.9 tp -131.23 144.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.54 . . . . 140.58 111.826 -179.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 p30 -61.42 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 113.79 110.871 179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.13 123.22 44.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 107.383 -1.34 . . . . 109.99 107.383 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 t -50.78 110.56 1.79 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 81.44 111.762 -179.23 -154.082 79.856 87.674 102.416 2.031 104.284 102.316 -60.054 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.75 139.95 23.58 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 121.913 1.742 . . . . 96.88 112.908 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.69 121.4 25.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.928 -0.767 . . . . 143.16 108.928 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 46.9 m -80.87 -159.55 0.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 115.156 1.539 . . . . 74.17 115.156 -178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 79.1 p -148.17 -157.71 0.84 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.691 -0.686 . . . . 73.67 110.36 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -73.11 -35.82 66.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 113.123 0.786 . . . . 60.01 113.123 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 36.1 mt -100.25 -26.75 13.81 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.929 1.455 . . . . 56.32 114.929 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 95.7 t -106.26 146.88 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.841 -0.8 . . . . 54.69 108.841 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -140.85 138.67 34.15 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.799 0.666 . . . . 73.5 112.799 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -122.16 135.46 54.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.489 -0.778 . . . . 63.49 108.979 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.1 t -130.87 126.77 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.924 -0.398 . . . . 65.32 109.924 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.6 m -124.75 162.87 23.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.398 0.888 . . . . 92.55 113.398 -179.269 -60.054 102.316 87.674 104.284 2.031 102.416 79.856 -154.082 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 p -167.66 162.74 14.24 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 105.473 -2.047 . . . . 76.73 105.473 179.486 44.833 94.212 92.508 104.078 2.029 104.035 106.695 61.012 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.71 29.21 6.01 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.901 1.074 . . . . 72.03 113.901 -178.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 11.2 m -95.15 174.47 7.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.366 -0.605 . . . . 136.66 109.366 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.71 115.88 12.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.187 -0.301 . . . . 84.26 110.187 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 47.82 58.33 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 79.83 110.753 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 28.3 p -90.4 -40.37 12.1 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.128 0.788 . . . . 82.07 113.128 -179.409 61.012 106.695 92.508 104.035 2.029 104.078 94.212 44.833 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.002 -0.999 . . . . 88.62 111.6 -179.571 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' IDS . . . . . 0.49 ' O2S' ' CB ' ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SGN . . . . . 0.534 ' N ' ' O2 ' ' A' ' 63' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' IDS . . . . . 0.534 ' O2 ' ' N ' ' A' ' 62' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SGN . . . . . 0.511 ' O3 ' ' C5 ' ' A' ' 63' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' CIT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . 0.526 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.073 0.463 . . . . 79.39 111.099 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 66.5 mttm -126.15 134.81 51.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 75.79 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -126.21 148.66 49.41 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.17 -0.468 . . . . 37.51 110.719 -179.984 -58.59 -58.266 -85.845 103.668 2.027 104.651 -42.874 -63.277 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -74.15 163.56 27.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.579 -0.448 . . . . 45.13 111.204 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 6' ' ' LEU . 93.6 mttt -105.35 171.19 7.46 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 105.928 -1.878 . . . . 69.02 105.928 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.828 ' HB2' ' O2S' ' A' ' 61' ' ' IDS . 57.0 tp -35.21 -60.13 0.49 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.554 -1.647 . . . . 42.17 106.554 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.5 t -76.12 116.9 59.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 106.715 -1.587 . . . . 48.74 106.715 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -48.65 -39.57 37.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 124.181 3.254 . . . . 60.31 114.934 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.89 2.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.117 1.525 . . . . 60.38 115.117 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -137.88 150.69 47.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.085 0.469 . . . . 49.6 111.017 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE2' ' HD3' ' A' ' 2' ' ' LYS . 32.7 p90 -148.2 175.17 11.27 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 115.988 -0.551 . . . . 60.14 109.978 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -146.3 163.43 35.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.576 -0.898 . . . . 92.38 108.576 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.7 m -95.29 125.3 39.83 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 107.535 -1.283 . . . . 57.72 107.535 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.91 141.85 98.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.262 0.553 . . . . 65.9 112.269 -179.095 -60.372 -42.66 -87.305 104.832 2.029 103.058 -101.814 -62.774 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' ALA . 41.0 Cg_endo -78.88 146.94 21.07 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.4 2.067 . . . . 55.89 109.308 179.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -31.28 135.49 0.06 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 123.343 0.402 . . . . 55.59 112.0 -179.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' ASN . . . 97.43 -72.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.288 -0.958 . . . . 58.92 112.232 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -52.28 92.7 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.705 -0.85 . . . . 54.41 108.705 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' GLY . 19.8 p30 -105.25 49.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.884 0.698 . . . . 60.81 112.884 -179.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -158.46 155.99 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 115.143 1.535 . . . . 50.68 115.143 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m -116.82 132.48 56.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 104.425 -2.435 . . . . 51.36 104.425 177.727 -63.277 -42.874 -85.845 104.651 2.027 103.668 -58.266 -58.59 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -125.14 160.49 29.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.276 0.56 . . . . 37.71 112.09 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -129.99 145.08 51.63 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 103.583 -2.747 . . . . 50.21 103.583 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 35' ' ' LYS . 9.6 ttp -140.4 119.79 13.07 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 117.794 0.27 . . . . 53.88 110.952 179.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' A' ' 26' ' ' MET . 31.3 p90 -141.47 162.61 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.826 -0.625 . . . . 43.24 111.137 -179.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . 0.499 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 33.6 mmt -79.2 154.71 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 106.057 -1.831 . . . . 69.26 106.057 178.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 28' ' ' ALA . 11.4 p -64.91 -38.68 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.065 -0.717 . . . . 52.84 109.065 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' N ' HG13 ' A' ' 27' ' ' VAL . . . -53.19 -59.47 4.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 63.8 111.268 -179.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.6 p -108.68 88.81 5.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.138 -0.689 . . . . 92.76 109.138 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 48.6 Cg_endo -70.51 -30.44 18.81 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 124.323 3.349 . . . . 73.27 115.75 -179.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -89.62 1.85 55.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.914 0.709 . . . . 92.86 112.914 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.58 82.83 2.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 53.37 110.096 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . 0.815 ' HG3' HH12 ' A' ' 36' ' ' ARG . 91.2 Cg_endo -62.06 148.07 93.89 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.624 1.549 . . . . 55.72 111.178 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 24' ' ' MET . 33.7 m -129.16 -2.68 3.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 113.58 0.956 . . . . 56.22 113.58 -178.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 24' ' ' MET . 7.9 mmtt -154.04 133.64 12.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.415 -1.328 . . . . 40.0 107.415 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . 0.815 HH12 ' HG3' ' A' ' 33' ' ' PRO . 40.2 mtt85 -145.02 144.09 30.83 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.644 0.59 . . . . 40.95 112.047 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.699 ' HA3' ' O62' ' A' ' 61' ' ' IDS . . . 161.5 -159.57 31.41 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 116.89 1.516 . . . . 30.87 116.89 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -96.89 159.12 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.37 -0.415 . . . . 45.88 111.474 179.467 -62.774 -101.814 -87.305 103.058 2.029 104.832 -42.66 -60.372 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 40' ' ' ASP . 7.7 tp -165.45 155.96 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 112.298 0.481 . . . . 67.34 112.298 179.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' N ' HG13 ' A' ' 39' ' ' ILE . 4.3 p-10 -84.81 -59.59 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 61.98 111.325 179.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 p -121.64 127.88 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.503 -0.925 . . . . 56.12 108.503 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.68 125.26 45.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.238 0.542 . . . . 45.68 111.67 -178.911 -153.994 70.12 88.834 102.496 2.029 105.174 107.331 -59.674 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 92.5 Cg_exo -58.86 145.1 97.96 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.487 1.458 . . . . 39.18 110.938 179.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -65.57 130.43 43.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 91.06 110.29 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 130.36 34.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.524 -0.547 . . . . 44.24 109.524 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.7 p -93.65 -134.16 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.325 -0.398 . . . . 41.52 110.12 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.26 -62.58 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.645 0.259 . . . . 47.13 111.115 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.44 -12.22 54.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.04 0.755 . . . . 39.74 113.04 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -117.83 120.57 65.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.701 0.63 . . . . 32.33 112.701 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -110.34 145.67 37.1 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 114.29 1.219 . . . . 58.7 114.29 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 36.1 m-85 -124.12 126.27 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.255 -1.387 . . . . 55.87 107.255 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -121.7 131.42 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.094 -1.076 . . . . 53.13 108.094 178.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.3 m -130.73 148.34 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.932 0.715 . . . . 60.85 112.932 -178.642 -59.674 107.331 88.834 105.174 2.029 102.496 70.12 -153.994 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.4 p -141.82 166.67 24.08 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 108.582 -0.895 . . . . 55.3 108.582 179.97 50.776 117.345 91.082 103.829 2.023 104.307 91.91 41.709 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -116.82 14.56 15.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.314 1.227 . . . . 61.54 114.314 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 57' ' ' ASP . 36.1 m -101.69 164.33 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 111.66 109.296 179.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 56' ' ' THR . 1.6 m-20 -73.74 126.93 31.45 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.083 0.468 . . . . 81.98 111.28 179.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 50.7 68.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.435 -0.802 . . . . 68.9 111.578 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 56' ' ' THR . 1.9 p -121.25 -25.94 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.216 -0.661 . . . . 72.64 109.216 179.321 41.709 91.91 91.082 104.307 2.023 103.829 117.345 50.776 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 13.0 p-10 . . . . . 0 C--O 1.242 0.71 0 CA-C-O 117.586 -1.197 . . . . 53.74 111.148 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 51.7 tp . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.9 -0.408 . . . . 52.23 109.9 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . 0.521 ' HB3' ' HG2' ' B' ' 58' ' ' ARG . 68.5 mttm -72.99 114.69 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 132.24 110.213 179.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m -118.48 127.7 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.419 -0.81 . . . . 77.82 111.616 -179.32 -77.873 -25.38 -89.547 104.92 2.027 104.507 -54.402 -55.195 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -76.7 163.14 27.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.196 -0.602 . . . . 66.9 109.715 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . 0.441 ' HE2' ' HB3' ' B' ' 12' ' ' LYS . 93.4 mttt -109.74 179.11 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.959 0.726 . . . . 71.36 112.959 -179.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.2 tp -49.13 -25.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.355 -0.98 . . . . 52.69 108.355 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' B' ' 5' ' ' LYS . 38.9 t -120.19 98.46 48.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 106.353 -1.721 . . . . 90.35 106.353 179.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -35.79 -40.61 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.277 1 C-N-CA 125.312 4.008 . . . . 105.58 116.322 -179.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -53.64 -17.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 64.08 110.98 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -117.61 154.75 31.03 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.277 -0.42 . . . . 69.39 110.334 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.24 131.92 7.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 124.52 109.852 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' B' ' 5' ' ' LYS . 22.4 pttp -117.3 121.9 42.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.938 0.399 . . . . 100.49 111.274 179.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -50.01 103.49 0.05 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.108 -0.701 . . . . 86.88 109.108 179.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 1.6 m -43.65 114.36 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 109.326 -0.62 . . . . 93.55 109.326 179.892 -91.349 109.03 -100.371 108.642 2.03 105.012 158.542 -77.873 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 14' ' ' CYS . 89.5 Cg_endo -59.33 -179.01 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.103 3.202 . . . . 88.93 116.046 -179.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.74 158.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 116.71 110.641 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.24 -69.57 2.5 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.187 -1.165 . . . . 120.02 110.187 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . 0.77 ' HZ2' ' H ' ' B' ' 40' ' ' ASP . 74.7 mmtt -65.93 111.73 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.08 -0.341 . . . . 117.68 110.08 179.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -124.18 46.53 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.204 0.526 . . . . 63.26 110.112 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . 0.655 HD12 ' O ' ' B' ' 40' ' ' ASP . 85.0 mt -160.29 137.23 9.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.558 -0.747 . . . . 72.85 110.476 179.862 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.91 133.19 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.162 -2.162 . . . . 80.92 105.162 177.873 -55.195 -54.402 -89.547 104.507 2.027 104.92 -25.38 -77.873 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TYR . . . . . 0.413 ' OH ' ' HG2' ' B' ' 35' ' ' LYS . 17.7 p90 -125.72 166.29 17.06 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.598 1.333 . . . . 61.51 114.598 -179.132 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . 0.539 ' HE3' ' HD2' ' B' ' 25' ' ' PHE . 36.4 ttpt -131.07 134.19 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.845 -2.28 . . . . 58.67 104.845 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' MET . . . . . 0.492 ' O ' HG22 ' B' ' 34' ' ' VAL . 12.0 ttt -121.31 115.89 23.81 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.136 -0.69 . . . . 44.56 109.136 178.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . 0.539 ' HD2' ' HE3' ' B' ' 23' ' ' LYS . 36.8 p90 -133.02 162.9 30.46 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 53.18 109.624 -179.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 28' ' ' ALA . 3.1 tmm? -101.18 107.59 19.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.285 -1.376 . . . . 78.02 107.285 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 48' ' ' LEU . 7.9 p -20.26 -43.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 114.539 1.311 . . . . 76.41 114.539 -179.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' B' ' 26' ' ' MET . . . -62.58 -13.26 29.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.461 -0.336 . . . . 85.32 111.639 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 26' ' ' MET . 56.0 p -150.31 73.82 9.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.158 -0.682 . . . . 78.2 109.158 -179.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PRO . . . . . 0.538 ' HA ' ' CD1' ' B' ' 25' ' ' PHE . 92.1 Cg_endo -59.01 -26.68 82.53 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.62 2.214 . . . . 70.03 116.707 -179.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . 0.744 ' HD3' ' O4 ' ' A' ' 101' ' ' CIT . 44.5 tptt -90.69 -11.0 41.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 115.264 1.579 . . . . 77.3 115.264 -179.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 32' ' ' VAL . 47.4 t -102.68 64.26 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.554 0.216 . . . . 45.42 110.582 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' PRO . . . . . 0.722 ' HG3' ' NH1' ' B' ' 36' ' ' ARG . 94.2 Cg_endo -49.78 144.79 19.56 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 118.69 -0.407 . . . . 49.56 111.522 -179.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 24' ' ' MET . 35.5 m -109.63 -9.12 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 52.66 112.301 -179.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' B' ' 24' ' ' MET . 29.3 ttmt -157.8 149.27 21.62 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.832 -0.803 . . . . 56.67 108.832 179.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . 0.722 ' NH1' ' HG3' ' B' ' 33' ' ' PRO . 26.2 mtt85 -156.64 141.94 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.433 -1.691 . . . . 61.29 106.433 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.69 -132.62 2.35 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 116.657 1.423 . . . . 53.93 116.657 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.36 116.39 15.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 122.651 0.38 . . . . 88.99 110.387 -179.933 -55.859 -77.443 -97.62 102.44 2.026 104.289 -31.034 -91.349 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . 0.487 HG12 ' HD3' ' B' ' 43' ' ' PRO . 6.9 tp -131.23 144.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.54 . . . . 140.58 111.826 -179.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . 0.77 ' H ' ' HZ2' ' B' ' 18' ' ' LYS . 22.3 p30 -61.42 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 113.79 110.871 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . 0.496 ' H ' ' CG ' ' B' ' 40' ' ' ASP . 7.1 p -92.13 123.22 44.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 107.383 -1.34 . . . . 109.99 107.383 178.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 t -50.78 110.56 1.79 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 81.44 111.762 -179.23 -154.082 79.856 87.674 102.416 2.031 104.284 102.316 -60.054 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PRO . . . . . 0.487 ' HD3' HG12 ' B' ' 39' ' ' ILE . 50.2 Cg_exo -48.75 139.95 23.58 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 121.913 1.742 . . . . 96.88 112.908 179.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.69 121.4 25.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.928 -0.767 . . . . 143.16 108.928 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . 0.609 ' HB3' ' O ' ' B' ' 49' ' ' VAL . 46.9 m -80.87 -159.55 0.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 115.156 1.539 . . . . 74.17 115.156 -178.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 79.1 p -148.17 -157.71 0.84 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.691 -0.686 . . . . 73.67 110.36 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -73.11 -35.82 66.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 113.123 0.786 . . . . 60.01 113.123 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . 0.459 ' O ' HG12 ' B' ' 27' ' ' VAL . 36.1 mt -100.25 -26.75 13.81 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.929 1.455 . . . . 56.32 114.929 -178.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 45' ' ' SER . 95.7 t -106.26 146.88 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.841 -0.8 . . . . 54.69 108.841 179.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -140.85 138.67 34.15 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.799 0.666 . . . . 73.5 112.799 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -122.16 135.46 54.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.489 -0.778 . . . . 63.49 108.979 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.1 t -130.87 126.77 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.924 -0.398 . . . . 65.32 109.924 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.6 m -124.75 162.87 23.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.398 0.888 . . . . 92.55 113.398 -179.269 -60.054 102.316 87.674 104.284 2.031 102.416 79.856 -154.082 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 p -167.66 162.74 14.24 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 105.473 -2.047 . . . . 76.73 105.473 179.486 44.833 94.212 92.508 104.078 2.029 104.035 106.695 61.012 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -125.71 29.21 6.01 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.901 1.074 . . . . 72.03 113.901 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' THR . . . . . 0.618 HG22 ' H ' ' B' ' 57' ' ' ASP . 11.2 m -95.15 174.47 7.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.366 -0.605 . . . . 136.66 109.366 -179.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASP . . . . . 0.618 ' H ' HG22 ' B' ' 56' ' ' THR . 1.7 m-20 -72.71 115.88 12.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.187 -0.301 . . . . 84.26 110.187 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . 0.521 ' HG2' ' HB3' ' B' ' 2' ' ' LYS . 52.0 mtp180 47.82 58.33 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 79.83 110.753 -179.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' HB ' ' B' ' 56' ' ' THR . 28.3 p -90.4 -40.37 12.1 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.128 0.788 . . . . 82.07 113.128 -179.409 61.012 106.695 92.508 104.035 2.029 104.078 94.212 44.833 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.002 -0.999 . . . . 88.62 111.6 -179.571 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' IDS . . . . . 0.828 ' O2S' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SGN . . . . . 0.517 ' N ' ' O2 ' ' A' ' 63' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' IDS . . . . . 0.78 ' H5 ' ' O3 ' ' A' ' 64' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SGN . . . . . 0.78 ' O3 ' ' H5 ' ' A' ' 63' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' CIT . . . . . 0.744 ' O4 ' ' HD3' ' B' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.073 0.463 . . . . 79.39 111.099 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 11' ' ' TYR . 66.5 mttm -126.15 134.81 51.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 75.79 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -126.21 148.66 49.41 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.17 -0.468 . . . . 37.51 110.719 -179.984 -58.59 -58.266 -85.845 103.668 2.027 104.651 -42.874 -63.277 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -74.15 163.56 27.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.579 -0.448 . . . . 45.13 111.204 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 6' ' ' LEU . 93.6 mttt -105.35 171.19 7.46 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 105.928 -1.878 . . . . 69.02 105.928 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.828 ' HB2' ' O2S' ' A' ' 61' ' ' IDS . 57.0 tp -35.21 -60.13 0.49 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.554 -1.647 . . . . 42.17 106.554 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.5 t -76.12 116.9 59.99 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 106.715 -1.587 . . . . 48.74 106.715 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -48.65 -39.57 37.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 124.181 3.254 . . . . 60.31 114.934 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.89 2.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.117 1.525 . . . . 60.38 115.117 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -137.88 150.69 47.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.085 0.469 . . . . 49.6 111.017 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CE2' ' HD3' ' A' ' 2' ' ' LYS . 32.7 p90 -148.2 175.17 11.27 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 115.988 -0.551 . . . . 60.14 109.978 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -146.3 163.43 35.53 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.576 -0.898 . . . . 92.38 108.576 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.7 m -95.29 125.3 39.83 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 107.535 -1.283 . . . . 57.72 107.535 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.91 141.85 98.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.262 0.553 . . . . 65.9 112.269 -179.095 -60.372 -42.66 -87.305 104.832 2.029 103.058 -101.814 -62.774 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' ALA . 41.0 Cg_endo -78.88 146.94 21.07 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.4 2.067 . . . . 55.89 109.308 179.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -31.28 135.49 0.06 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 123.343 0.402 . . . . 55.59 112.0 -179.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' ASN . . . 97.43 -72.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.288 -0.958 . . . . 58.92 112.232 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -52.28 92.7 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.705 -0.85 . . . . 54.41 108.705 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' GLY . 19.8 p30 -105.25 49.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.884 0.698 . . . . 60.81 112.884 -179.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -158.46 155.99 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 115.143 1.535 . . . . 50.68 115.143 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m -116.82 132.48 56.68 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 104.425 -2.435 . . . . 51.36 104.425 177.727 -63.277 -42.874 -85.845 104.651 2.027 103.668 -58.266 -58.59 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -125.14 160.49 29.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.276 0.56 . . . . 37.71 112.09 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -129.99 145.08 51.63 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 103.583 -2.747 . . . . 50.21 103.583 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 35' ' ' LYS . 9.6 ttp -140.4 119.79 13.07 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 117.794 0.27 . . . . 53.88 110.952 179.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' A' ' 26' ' ' MET . 31.3 p90 -141.47 162.61 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.826 -0.625 . . . . 43.24 111.137 -179.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . 0.499 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 33.6 mmt -79.2 154.71 29.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 106.057 -1.831 . . . . 69.26 106.057 178.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 28' ' ' ALA . 11.4 p -64.91 -38.68 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.065 -0.717 . . . . 52.84 109.065 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' N ' HG13 ' A' ' 27' ' ' VAL . . . -53.19 -59.47 4.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 63.8 111.268 -179.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.6 p -108.68 88.81 5.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.138 -0.689 . . . . 92.76 109.138 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 48.6 Cg_endo -70.51 -30.44 18.81 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 124.323 3.349 . . . . 73.27 115.75 -179.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -89.62 1.85 55.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.914 0.709 . . . . 92.86 112.914 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.58 82.83 2.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 53.37 110.096 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.815 ' HG3' HH12 ' A' ' 36' ' ' ARG . 91.2 Cg_endo -62.06 148.07 93.89 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.624 1.549 . . . . 55.72 111.178 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 24' ' ' MET . 33.7 m -129.16 -2.68 3.1 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 113.58 0.956 . . . . 56.22 113.58 -178.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 24' ' ' MET . 7.9 mmtt -154.04 133.64 12.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.415 -1.328 . . . . 40.0 107.415 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.815 HH12 ' HG3' ' A' ' 33' ' ' PRO . 40.2 mtt85 -145.02 144.09 30.83 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.644 0.59 . . . . 40.95 112.047 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.699 ' HA3' ' O62' ' A' ' 61' ' ' IDS . . . 161.5 -159.57 31.41 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 116.89 1.516 . . . . 30.87 116.89 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.9 m -96.89 159.12 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.37 -0.415 . . . . 45.88 111.474 179.467 -62.774 -101.814 -87.305 103.058 2.029 104.832 -42.66 -60.372 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 40' ' ' ASP . 7.7 tp -165.45 155.96 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 112.298 0.481 . . . . 67.34 112.298 179.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' N ' HG13 ' A' ' 39' ' ' ILE . 4.3 p-10 -84.81 -59.59 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 61.98 111.325 179.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 p -121.64 127.88 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.503 -0.925 . . . . 56.12 108.503 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.68 125.26 45.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.238 0.542 . . . . 45.68 111.67 -178.911 -153.994 70.12 88.834 102.496 2.029 105.174 107.331 -59.674 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 92.5 Cg_exo -58.86 145.1 97.96 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.487 1.458 . . . . 39.18 110.938 179.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -65.57 130.43 43.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 91.06 110.29 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 130.36 34.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.524 -0.547 . . . . 44.24 109.524 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.7 p -93.65 -134.16 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.325 -0.398 . . . . 41.52 110.12 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.26 -62.58 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.645 0.259 . . . . 47.13 111.115 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.44 -12.22 54.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.04 0.755 . . . . 39.74 113.04 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -117.83 120.57 65.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.701 0.63 . . . . 32.33 112.701 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -110.34 145.67 37.1 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 114.29 1.219 . . . . 58.7 114.29 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 36.1 m-85 -124.12 126.27 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.255 -1.387 . . . . 55.87 107.255 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -121.7 131.42 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.094 -1.076 . . . . 53.13 108.094 178.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.3 m -130.73 148.34 52.5 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.932 0.715 . . . . 60.85 112.932 -178.642 -59.674 107.331 88.834 105.174 2.029 102.496 70.12 -153.994 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.4 p -141.82 166.67 24.08 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 108.582 -0.895 . . . . 55.3 108.582 179.97 50.776 117.345 91.082 103.829 2.023 104.307 91.91 41.709 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.472 HD22 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -116.82 14.56 15.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.314 1.227 . . . . 61.54 114.314 -179.03 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 57' ' ' ASP . 36.1 m -101.69 164.33 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 111.66 109.296 179.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 56' ' ' THR . 1.6 m-20 -73.74 126.93 31.45 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.083 0.468 . . . . 81.98 111.28 179.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 50.7 68.04 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.435 -0.802 . . . . 68.9 111.578 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 56' ' ' THR . 1.9 p -121.25 -25.94 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.216 -0.661 . . . . 72.64 109.216 179.321 41.709 91.91 91.082 104.307 2.023 103.829 117.345 50.776 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 13.0 p-10 . . . . . 0 C--O 1.242 0.71 0 CA-C-O 117.586 -1.197 . . . . 53.74 111.148 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 51.7 tp . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.9 -0.408 . . . . 52.23 109.9 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.521 ' HB3' ' HG2' ' B' ' 58' ' ' ARG . 68.5 mttm -72.99 114.69 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.998 -0.546 . . . . 132.24 110.213 179.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 m -118.48 127.7 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.419 -0.81 . . . . 77.82 111.616 -179.32 -77.873 -25.38 -89.547 104.92 2.027 104.507 -54.402 -55.195 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -76.7 163.14 27.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.196 -0.602 . . . . 66.9 109.715 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.441 ' HE2' ' HB3' ' B' ' 12' ' ' LYS . 93.4 mttt -109.74 179.11 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.959 0.726 . . . . 71.36 112.959 -179.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.2 tp -49.13 -25.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.355 -0.98 . . . . 52.69 108.355 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' B' ' 5' ' ' LYS . 38.9 t -120.19 98.46 48.89 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 106.353 -1.721 . . . . 90.35 106.353 179.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -35.79 -40.61 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.277 1 C-N-CA 125.312 4.008 . . . . 105.58 116.322 -179.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -53.64 -17.79 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 64.08 110.98 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -117.61 154.75 31.03 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.277 -0.42 . . . . 69.39 110.334 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.24 131.92 7.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 124.52 109.852 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' B' ' 5' ' ' LYS . 22.4 pttp -117.3 121.9 42.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.938 0.399 . . . . 100.49 111.274 179.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -50.01 103.49 0.05 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.108 -0.701 . . . . 86.88 109.108 179.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 1.6 m -43.65 114.36 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 109.326 -0.62 . . . . 93.55 109.326 179.892 -91.349 109.03 -100.371 108.642 2.03 105.012 158.542 -77.873 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 14' ' ' CYS . 89.5 Cg_endo -59.33 -179.01 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.103 3.202 . . . . 88.93 116.046 -179.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.74 158.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.441 -0.8 . . . . 116.71 110.641 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.24 -69.57 2.5 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.187 -1.165 . . . . 120.02 110.187 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.77 ' HZ2' ' H ' ' B' ' 40' ' ' ASP . 74.7 mmtt -65.93 111.73 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.08 -0.341 . . . . 117.68 110.08 179.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -124.18 46.53 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.204 0.526 . . . . 63.26 110.112 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.655 HD12 ' O ' ' B' ' 40' ' ' ASP . 85.0 mt -160.29 137.23 9.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.558 -0.747 . . . . 72.85 110.476 179.862 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 59.3 m -105.91 133.19 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.162 -2.162 . . . . 80.92 105.162 177.873 -55.195 -54.402 -89.547 104.507 2.027 104.92 -25.38 -77.873 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.413 ' OH ' ' HG2' ' B' ' 35' ' ' LYS . 17.7 p90 -125.72 166.29 17.06 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.598 1.333 . . . . 61.51 114.598 -179.132 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.539 ' HE3' ' HD2' ' B' ' 25' ' ' PHE . 36.4 ttpt -131.07 134.19 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.845 -2.28 . . . . 58.67 104.845 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' MET . . . . . 0.492 ' O ' HG22 ' B' ' 34' ' ' VAL . 12.0 ttt -121.31 115.89 23.81 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.136 -0.69 . . . . 44.56 109.136 178.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.539 ' HD2' ' HE3' ' B' ' 23' ' ' LYS . 36.8 p90 -133.02 162.9 30.46 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 53.18 109.624 -179.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 28' ' ' ALA . 3.1 tmm? -101.18 107.59 19.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.285 -1.376 . . . . 78.02 107.285 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 48' ' ' LEU . 7.9 p -20.26 -43.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 114.539 1.311 . . . . 76.41 114.539 -179.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' B' ' 26' ' ' MET . . . -62.58 -13.26 29.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.461 -0.336 . . . . 85.32 111.639 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 26' ' ' MET . 56.0 p -150.31 73.82 9.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.158 -0.682 . . . . 78.2 109.158 -179.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.538 ' HA ' ' CD1' ' B' ' 25' ' ' PHE . 92.1 Cg_endo -59.01 -26.68 82.53 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.62 2.214 . . . . 70.03 116.707 -179.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.744 ' HD3' ' O4 ' ' A' ' 101' ' ' CIT . 44.5 tptt -90.69 -11.0 41.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 115.264 1.579 . . . . 77.3 115.264 -179.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 32' ' ' VAL . 47.4 t -102.68 64.26 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.554 0.216 . . . . 45.42 110.582 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.722 ' HG3' ' NH1' ' B' ' 36' ' ' ARG . 94.2 Cg_endo -49.78 144.79 19.56 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 118.69 -0.407 . . . . 49.56 111.522 -179.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 24' ' ' MET . 35.5 m -109.63 -9.12 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.369 0.604 . . . . 52.66 112.301 -179.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' B' ' 24' ' ' MET . 29.3 ttmt -157.8 149.27 21.62 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.832 -0.803 . . . . 56.67 108.832 179.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.722 ' NH1' ' HG3' ' B' ' 33' ' ' PRO . 26.2 mtt85 -156.64 141.94 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.433 -1.691 . . . . 61.29 106.433 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.69 -132.62 2.35 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 116.657 1.423 . . . . 53.93 116.657 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.36 116.39 15.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 122.651 0.38 . . . . 88.99 110.387 -179.933 -55.859 -77.443 -97.62 102.44 2.026 104.289 -31.034 -91.349 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.487 HG12 ' HD3' ' B' ' 43' ' ' PRO . 6.9 tp -131.23 144.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.54 . . . . 140.58 111.826 -179.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.77 ' H ' ' HZ2' ' B' ' 18' ' ' LYS . 22.3 p30 -61.42 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 113.79 110.871 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.496 ' H ' ' CG ' ' B' ' 40' ' ' ASP . 7.1 p -92.13 123.22 44.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 107.383 -1.34 . . . . 109.99 107.383 178.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 t -50.78 110.56 1.79 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 81.44 111.762 -179.23 -154.082 79.856 87.674 102.416 2.031 104.284 102.316 -60.054 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.487 ' HD3' HG12 ' B' ' 39' ' ' ILE . 50.2 Cg_exo -48.75 139.95 23.58 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 121.913 1.742 . . . . 96.88 112.908 179.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.69 121.4 25.83 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.928 -0.767 . . . . 143.16 108.928 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . 0.609 ' HB3' ' O ' ' B' ' 49' ' ' VAL . 46.9 m -80.87 -159.55 0.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 115.156 1.539 . . . . 74.17 115.156 -178.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 79.1 p -148.17 -157.71 0.84 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.691 -0.686 . . . . 73.67 110.36 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -73.11 -35.82 66.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 113.123 0.786 . . . . 60.01 113.123 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.459 ' O ' HG12 ' B' ' 27' ' ' VAL . 36.1 mt -100.25 -26.75 13.81 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.929 1.455 . . . . 56.32 114.929 -178.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 45' ' ' SER . 95.7 t -106.26 146.88 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.841 -0.8 . . . . 54.69 108.841 179.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -140.85 138.67 34.15 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.799 0.666 . . . . 73.5 112.799 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -122.16 135.46 54.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.489 -0.778 . . . . 63.49 108.979 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.1 t -130.87 126.77 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.924 -0.398 . . . . 65.32 109.924 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.6 m -124.75 162.87 23.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.398 0.888 . . . . 92.55 113.398 -179.269 -60.054 102.316 87.674 104.284 2.031 102.416 79.856 -154.082 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 p -167.66 162.74 14.24 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 105.473 -2.047 . . . . 76.73 105.473 179.486 44.833 94.212 92.508 104.078 2.029 104.035 106.695 61.012 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.488 ' H ' HD22 ' B' ' 55' ' ' ASN . 0.0 OUTLIER -125.71 29.21 6.01 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.901 1.074 . . . . 72.03 113.901 -178.921 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' THR . . . . . 0.618 HG22 ' H ' ' B' ' 57' ' ' ASP . 11.2 m -95.15 174.47 7.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.366 -0.605 . . . . 136.66 109.366 -179.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.618 ' H ' HG22 ' B' ' 56' ' ' THR . 1.7 m-20 -72.71 115.88 12.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.187 -0.301 . . . . 84.26 110.187 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.521 ' HG2' ' HB3' ' B' ' 2' ' ' LYS . 52.0 mtp180 47.82 58.33 5.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 79.83 110.753 -179.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' HB ' ' B' ' 56' ' ' THR . 28.3 p -90.4 -40.37 12.1 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.128 0.788 . . . . 82.07 113.128 -179.409 61.012 106.695 92.508 104.035 2.029 104.078 94.212 44.833 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.002 -0.999 . . . . 88.62 111.6 -179.571 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' IDS . . . . . 0.828 ' O2S' ' HB2' ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SGN . . . . . 0.517 ' N ' ' O2 ' ' A' ' 63' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' IDS . . . . . 0.78 ' H5 ' ' O3 ' ' A' ' 64' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SGN . . . . . 0.78 ' O3 ' ' H5 ' ' A' ' 63' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' CIT . . . . . 0.744 ' O4 ' ' HD3' ' B' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 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