data_1vd9_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 1vd9 _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -68.52 -34.44 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.71 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -29.94 65.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.1 mt -73.97 -55.97 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.92 -43.33 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.336 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -78.29 -33.94 49.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -42.75 96.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.41 64.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.64 -54.98 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.6 -30.55 43.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -92.79 -28.49 16.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.155 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -83.67 -32.23 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.52 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.386 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.5 -31.46 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.03 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.2 mt -70.23 -55.14 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.33 -33.38 63.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -89.31 -26.61 21.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.173 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.869 0.366 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -65.39 -36.18 83.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.31 -40.44 93.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.53 67.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.87 -54.63 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -53.11 -37.2 61.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.273 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.47 -26.94 26.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.345 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -74.91 -32.08 61.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -64.63 -44.01 91.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.71 -30.02 63.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -74.4 -56.2 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -40.63 61.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.289 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.88 -27.13 40.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.788 0.328 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -76.46 -35.75 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -41.35 97.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.14 65.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.0 mm -69.56 -53.73 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -35.29 17.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.412 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -92.96 -27.97 16.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.219 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -84.68 -37.67 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -42.55 99.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.28 63.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.073 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.7 mm -76.11 -56.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -52.41 -51.17 60.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.271 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.37 -26.9 68.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.126 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.75 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.32 86.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.701 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.5 -30.03 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 mt -72.51 -55.58 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.47 -42.96 67.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.82 -30.11 58.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.987 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -67.11 -35.11 79.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -44.4 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -31.9 66.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.25 -56.25 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -33.16 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.78 -29.67 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.038 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.68 -39.12 77.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -44.22 92.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.46 -27.9 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 8' ' ' ILE . 27.1 mm -73.25 -54.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.194 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -51.39 -34.28 33.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.436 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -89.32 -29.97 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.223 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.92 -36.15 83.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -60.38 -46.32 90.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.2 -30.33 62.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.437 HD12 HG23 ' A' ' 8' ' ' ILE . 27.9 mm -74.42 -55.7 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -51.21 -36.72 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.253 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.42 -26.53 28.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.508 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.6 -33.79 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -40.83 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.0 0.429 . . . . 0.0 110.636 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.7 -30.16 65.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.992 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.93 -55.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.87 -34.26 58.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.0 -24.27 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.218 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -67.61 -38.07 83.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -42.49 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.13 -33.76 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.89 -55.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.45 -28.08 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.248 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.25 -29.34 14.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.178 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -76.45 -35.09 58.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.2 -42.35 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.04 -28.1 64.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.77 -55.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -51.1 -35.53 35.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.26 -28.4 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.068 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.2 -31.48 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -64.43 -44.54 90.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.21 60.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.7 mt -76.86 -57.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.388 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -27.88 64.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.256 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -92.88 -25.49 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.313 -179.868 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 p -116.01 -170.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -69.31 -31.27 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -36.15 68.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -68.52 -34.44 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.71 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -29.94 65.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.1 mt -73.97 -55.97 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.92 -43.33 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.25 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -104.57 48.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.16 -65.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -172.69 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.15 21.05 10.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.178 0.513 . . . . 0.0 111.19 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.29 -155.25 0.06 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.327 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.83 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.924 0.393 . . . . 0.0 111.059 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.59 -68.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -109.89 33.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 60.34 86.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -156.57 33.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.99 35.29 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.911 0.386 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -129.58 171.95 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.99 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -34.21 71.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -78.29 -33.94 49.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -42.75 96.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.41 64.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.64 -54.98 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.6 -30.55 43.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -92.79 -28.49 16.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.67 -31.67 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -123.3 73.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttp -126.97 -59.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -107.55 -164.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.58 19.37 10.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.324 0.583 . . . . 0.0 111.117 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.28 -159.92 0.17 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.836 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.03 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.747 0.308 . . . . 0.0 111.228 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.13 31.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -109.89 57.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 58.36 106.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.33 134.52 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.96 175.19 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.868 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -134.06 179.25 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -65.5 -37.5 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.51 -32.61 73.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -83.67 -32.23 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.52 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.386 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.5 -31.46 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.03 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.2 mt -70.23 -55.14 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.33 -33.38 63.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -89.31 -26.61 21.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.36 -43.6 81.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.173 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -103.08 34.65 2.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.77 -65.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -165.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.71 22.06 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.232 0.539 . . . . 0.0 111.194 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -177.59 -159.15 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.366 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 65.68 177.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.05 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -161.88 37.04 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.98 29.44 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mp -100.05 86.98 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.64 -69.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.918 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -93.64 -170.15 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -87.91 -30.64 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.49 -45.2 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -65.39 -36.18 83.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.31 -40.44 93.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.69 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.53 67.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.87 -54.63 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -53.11 -37.2 61.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.273 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.47 -26.94 26.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.31 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.345 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -97.88 31.59 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 ttt -102.81 31.41 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.43 -163.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.51 20.93 10.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.195 0.521 . . . . 0.0 111.123 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.4 -159.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.227 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.02 62.17 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.03 167.46 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -76.02 -45.4 34.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -100.87 29.87 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.35 161.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.73 176.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.914 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.878 0.371 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -152.44 -169.85 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -83.14 -31.36 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -30.98 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -74.91 -32.08 61.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -64.63 -44.01 91.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.71 -30.02 63.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -74.4 -56.2 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -40.63 61.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.289 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.88 -27.13 40.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.15 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 84.67 1.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.5 ttp -94.12 45.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -104.24 -161.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.32 21.8 12.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.349 0.595 . . . . 0.0 111.127 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -176.12 -159.55 0.07 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.346 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.58 84.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.69 155.71 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -65.26 -33.36 75.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 -153.87 110.06 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.55 152.11 32.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -156.93 38.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.86 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -110.05 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -90.35 -31.28 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.5 -30.92 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -76.46 -35.75 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -41.35 97.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.14 65.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.0 mm -69.56 -53.73 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -35.29 17.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.412 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -92.96 -27.97 16.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.27 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 48.83 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.088 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -90.15 -31.67 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t 55.44 -163.6 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.06 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.5 -162.18 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.221 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.3 132.72 10.01 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.527 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.24 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.203 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.1 -61.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.66 80.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -92.1 176.14 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.7 mt 59.95 175.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 72.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.871 0.367 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -130.71 -171.25 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.96 -31.03 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -84.68 -37.67 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -42.55 99.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.28 63.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.073 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.7 mm -76.11 -56.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -52.41 -51.17 60.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.271 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.37 -26.9 68.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.55 70.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -97.59 38.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 -45.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -161.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.85 -161.14 0.28 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.285 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.92 133.9 8.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.641 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.41 70.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.84 86.02 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.77 -71.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.3 ttp-105 -152.93 71.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -144.52 -178.58 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -76.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.938 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 p -70.41 -174.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -32.07 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -33.79 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.75 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.32 86.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.701 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.5 -30.03 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 mt -72.51 -55.58 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.47 -42.96 67.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.82 -30.11 58.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -105.66 33.29 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.62 82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -163.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.737 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.66 22.53 11.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.357 0.599 . . . . 0.0 111.074 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' CD1' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -171.65 -158.21 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.186 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 70.57 -168.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.84 -42.14 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -162.71 87.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 16' ' ' TYR . 1.3 mt -148.06 130.1 15.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.14 91.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.1 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.896 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.828 0.346 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -160.11 178.47 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.208 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.8 -33.1 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -67.11 -35.11 79.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -44.4 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.42 -31.9 66.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.25 -56.25 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -33.16 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.78 -29.67 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.62 -53.68 7.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.038 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.64 67.44 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.5 128.04 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -99.38 -165.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.51 21.71 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.255 0.55 . . . . 0.0 111.107 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.32 -160.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.28 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.38 -174.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.13 29.2 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -110.46 -33.26 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -113.28 -45.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.26 141.86 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.96 75.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.848 0.356 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -108.42 175.9 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.86 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.68 -39.12 77.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -44.22 92.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.46 -27.9 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 8' ' ' ILE . 27.1 mm -73.25 -54.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.194 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -51.39 -34.28 33.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.436 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -89.32 -29.97 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.63 56.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.223 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -132.16 53.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -60.19 177.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -162.56 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.9 -161.57 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.335 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.58 133.57 10.14 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -171.48 118.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.11 -171.86 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -39.11 60.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -142.94 110.27 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.67 89.33 3.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.48 139.26 35.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.948 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.836 0.351 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -95.86 -166.36 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -91.61 -30.35 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.24 -38.65 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.92 -36.15 83.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -60.38 -46.32 90.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.2 -30.33 62.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.437 HD12 HG23 ' A' ' 8' ' ' ILE . 27.9 mm -74.42 -55.7 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -51.21 -36.72 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.253 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.42 -26.53 28.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.3 1.1 54.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.508 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -107.5 38.17 2.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -142.64 53.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.75 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.796 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.61 20.91 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.239 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.37 -157.35 0.11 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.266 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.63 32.83 11.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.308 . . . . 0.0 111.079 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.26 -174.4 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -53.58 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 140.66 36.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -133.98 -176.47 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.66 144.87 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.861 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -121.54 -174.82 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.05 -30.26 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.3 -29.96 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.6 -33.79 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -40.83 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.0 0.429 . . . . 0.0 110.636 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.7 -30.16 65.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.992 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.93 -55.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.87 -34.26 58.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -90.0 -24.27 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.67 -29.38 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.218 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -97.04 38.81 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 mtp -108.3 92.09 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -154.06 -162.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.55 -160.99 0.29 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.191 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.04 133.75 8.7 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.622 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.33 36.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.6 -56.72 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -73.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -91.86 -172.47 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tp -149.92 157.58 43.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.06 -178.03 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.896 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 t -106.01 172.43 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -30.96 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -42.67 99.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -67.61 -38.07 83.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -42.49 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.13 -33.76 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.89 -55.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.45 -28.08 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.248 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.25 -29.34 14.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.85 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.178 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -119.82 72.79 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 ttm -137.92 -66.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.7 -164.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.67 -163.32 0.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.262 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.33 131.97 10.38 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.549 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.69 103.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.07 -70.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -118.17 -66.02 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.01 85.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.789 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tp -175.95 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.87 32.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.802 0.335 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -97.45 -180.0 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -83.05 -30.79 27.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -35.38 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -76.45 -35.09 58.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.2 -42.35 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.04 -28.1 64.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.77 -55.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -51.1 -35.53 35.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.26 -28.4 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.76 -30.93 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -139.97 82.24 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.95 4.57 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.493 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.0 t 54.28 -158.1 0.19 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.588 0.232 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.48 19.2 11.57 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.274 0.559 . . . . 0.0 111.057 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.19 -160.18 0.36 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.984 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 68.45 163.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 92.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 ttm105 -169.38 -51.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -137.84 30.96 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 mt -151.91 31.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 83.09 5.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 t -127.63 172.31 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -71.95 -28.35 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -34.46 70.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.2 -31.48 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -64.43 -44.54 90.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.21 60.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.7 mt -76.86 -57.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.388 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -27.88 64.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.256 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 pp -92.88 -25.49 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.2 -31.93 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.313 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 46.36 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -30.21 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -102.12 -160.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.59 -162.79 0.27 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.285 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.99 133.0 9.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.08 36.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.012 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -177.81 -163.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -55.32 -28.4 53.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.34 122.98 23.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.86 -48.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -33.34 34.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.874 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HA ' HD12 ' A' ' 8' ' ' ILE . 71.8 mt-30 -68.52 -34.44 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.71 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.03 -29.94 65.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 5' ' ' GLN . 26.1 mt -73.97 -55.97 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.92 -43.33 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.583 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.336 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -78.29 -33.94 49.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -42.75 96.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.47 -29.41 64.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.64 -54.98 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.6 -30.55 43.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.6 pp -92.79 -28.49 16.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.634 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 8' ' ' ILE . 54.8 mt-30 -83.67 -32.23 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.144 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.52 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.386 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.5 -31.46 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.03 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 5' ' ' GLN . 30.2 mt -70.23 -55.14 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.33 -33.38 63.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.7 pp -89.31 -26.61 21.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.173 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.869 0.366 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -65.39 -36.18 83.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.598 ' HD2' HD23 ' A' ' 10' ' ' LEU . 1.8 tmm_? -65.31 -40.44 93.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.69 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.85 -30.53 67.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.87 -54.63 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -53.11 -37.2 61.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.273 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.3 pp -85.47 -26.94 26.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.345 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -74.91 -32.08 61.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.807 ' HD2' HD23 ' A' ' 10' ' ' LEU . 4.2 tmm_? -64.63 -44.01 91.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.71 -30.02 63.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -74.4 -56.2 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -40.63 61.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.289 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.807 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.5 pp -79.88 -27.13 40.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.788 0.328 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -76.46 -35.75 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -41.35 97.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.19 -29.14 65.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.0 mm -69.56 -53.73 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -35.29 17.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.412 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -92.96 -27.97 16.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -84.68 -37.67 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -42.55 99.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.44 -31.28 63.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 26.7 mm -76.11 -56.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -52.41 -51.17 60.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.271 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.584 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.4 pp -62.37 -26.9 68.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 8' ' ' ILE . 24.7 mt-30 -64.75 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.1 -40.32 86.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.701 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.5 -30.03 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 5' ' ' GLN . 29.6 mt -72.51 -55.58 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.47 -42.96 67.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.5 pp -75.82 -30.11 58.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' ILE . 53.6 mm-40 -67.11 -35.11 79.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -44.4 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.42 -31.9 66.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 5' ' ' GLN . 23.7 mt -77.25 -56.25 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -33.16 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.2 pp -86.78 -29.67 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.038 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.68 -39.12 77.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -44.22 92.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.46 -27.9 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.25 -54.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.194 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -51.39 -34.28 33.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.436 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -89.32 -29.97 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.223 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.92 -36.15 83.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -60.38 -46.32 90.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.2 -30.33 62.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.9 mm -74.42 -55.7 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -51.21 -36.72 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.253 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.5 pp -84.42 -26.53 28.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.508 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.6 -33.79 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -40.83 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.0 0.429 . . . . 0.0 110.636 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.7 -30.16 65.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.992 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.93 -55.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.87 -34.26 58.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -90.0 -24.27 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.218 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -67.61 -38.07 83.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -42.49 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.13 -33.76 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.89 -55.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.45 -28.08 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.248 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -96.25 -29.34 14.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.178 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.738 ' HA ' HD12 ' A' ' 8' ' ' ILE . 81.7 mt-30 -76.45 -35.09 58.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.2 -42.35 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.04 -28.1 64.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 5' ' ' GLN . 25.9 mt -73.77 -55.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -51.1 -35.53 35.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -87.26 -28.4 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 8' ' ' ILE . 69.6 mt-30 -61.2 -31.48 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -64.43 -44.54 90.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.07 -26.21 60.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.061 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 5' ' ' GLN . 21.7 mt -76.86 -57.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.388 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -27.88 64.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.256 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.0 pp -92.88 -25.49 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.313 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 p -116.01 -170.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -69.31 -31.27 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -36.15 68.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HA ' HD12 ' A' ' 8' ' ' ILE . 71.8 mt-30 -68.52 -34.44 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.71 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.03 -29.94 65.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 5' ' ' GLN . 26.1 mt -73.97 -55.97 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.92 -43.33 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.583 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -65.81 -30.25 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -104.57 48.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.16 -65.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -172.69 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.15 21.05 10.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.178 0.513 . . . . 0.0 111.19 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' HE1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -174.29 -155.25 0.06 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.327 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 16' ' ' TYR . . . 70.83 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.924 0.393 . . . . 0.0 111.059 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.59 -68.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -109.89 33.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 60.34 86.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.598 HD11 ' HE1' ' A' ' 16' ' ' TYR . 2.6 pt? -156.57 33.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.99 35.29 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.911 0.386 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -129.58 171.95 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.99 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -34.21 71.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -78.29 -33.94 49.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -42.75 96.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.47 -29.41 64.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.64 -54.98 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.6 -30.55 43.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.6 pp -92.79 -28.49 16.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.634 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -79.67 -31.67 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -123.3 73.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttp -126.97 -59.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -107.55 -164.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.58 19.37 10.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.324 0.583 . . . . 0.0 111.117 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.28 -159.92 0.17 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.836 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.03 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.747 0.308 . . . . 0.0 111.228 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.13 31.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -109.89 57.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 58.36 106.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD13 ' N ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -90.33 134.52 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.561 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -128.96 175.19 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.868 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -134.06 179.25 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -65.5 -37.5 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.51 -32.61 73.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 8' ' ' ILE . 54.8 mt-30 -83.67 -32.23 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.144 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.52 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.386 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.5 -31.46 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.03 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 5' ' ' GLN . 30.2 mt -70.23 -55.14 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.33 -33.38 63.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.7 pp -89.31 -26.61 21.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -67.36 -43.6 81.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -103.08 34.65 2.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.77 -65.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -165.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.71 22.06 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.232 0.539 . . . . 0.0 111.194 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -177.59 -159.15 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.366 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 65.68 177.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.05 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -161.88 37.04 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.98 29.44 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.4 mp -100.05 86.98 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.64 -69.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 5' ' ' GLN . 9.4 t -93.64 -170.15 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -87.91 -30.64 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.49 -45.2 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.492 ' H ' HG23 ' A' ' 2' ' ' THR . 37.3 mt-30 -65.39 -36.18 83.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.598 ' HD2' HD23 ' A' ' 10' ' ' LEU . 1.8 tmm_? -65.31 -40.44 93.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.69 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.85 -30.53 67.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.87 -54.63 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -53.11 -37.2 61.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.273 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.3 pp -85.47 -26.94 26.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.31 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.345 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -97.88 31.59 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 ttt -102.81 31.41 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.43 -163.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.51 20.93 10.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.195 0.521 . . . . 0.0 111.123 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.4 -159.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.227 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.02 62.17 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.03 167.46 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -76.02 -45.4 34.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -100.87 29.87 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER 59.35 161.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' N ' HD23 ' A' ' 21' ' ' LEU . . . 61.73 176.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.914 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.878 0.371 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.548 HG22 ' HG3' ' A' ' 5' ' ' GLN . 10.5 t -152.44 -169.85 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -83.14 -31.36 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -30.98 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.548 ' HG3' HG22 ' A' ' 2' ' ' THR . 11.0 mt-30 -74.91 -32.08 61.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.807 ' HD2' HD23 ' A' ' 10' ' ' LEU . 4.2 tmm_? -64.63 -44.01 91.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.71 -30.02 63.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -74.4 -56.2 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -40.63 61.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.289 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.807 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.5 pp -79.88 -27.13 40.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -68.88 -29.15 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 84.67 1.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.5 ttp -94.12 45.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -104.24 -161.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.32 21.8 12.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.349 0.595 . . . . 0.0 111.127 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -176.12 -159.55 0.07 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.346 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.58 84.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.659 ' HB3' HD22 ' A' ' 21' ' ' LEU . . . -152.69 155.71 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -65.26 -33.36 75.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 -153.87 110.06 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -78.55 152.11 32.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -156.93 38.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.86 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -110.05 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -90.35 -31.28 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.5 -30.92 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -76.46 -35.75 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -41.35 97.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.19 -29.14 65.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.0 mm -69.56 -53.73 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -35.29 17.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.412 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -92.96 -27.97 16.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -69.53 -24.27 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.219 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 48.83 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.088 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -90.15 -31.67 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t 55.44 -163.6 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.06 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.5 -162.18 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.221 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.3 132.72 10.01 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.527 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.24 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.203 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.1 -61.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.66 80.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -92.1 176.14 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.7 mt 59.95 175.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 72.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.871 0.367 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -130.71 -171.25 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.96 -31.03 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -84.68 -37.67 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -42.55 99.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.44 -31.28 63.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.764 HG22 ' NH2' ' A' ' 12' ' ' ARG . 26.7 mm -76.11 -56.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -52.41 -51.17 60.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.271 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.584 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.4 pp -62.37 -26.9 68.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -61.28 -30.55 70.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.764 ' NH2' HG22 ' A' ' 8' ' ' ILE . 61.4 mtm180 -97.59 38.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 -45.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -161.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.85 -161.14 0.28 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.285 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.92 133.9 8.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.641 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.41 70.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.84 86.02 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.77 -71.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' N ' HD13 ' A' ' 21' ' ' LEU . 22.3 ttp-105 -152.93 71.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -144.52 -178.58 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -76.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 21' ' ' LEU . 13.4 t-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 p -70.41 -174.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -32.07 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -33.79 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 8' ' ' ILE . 24.7 mt-30 -64.75 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.1 -40.32 86.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.701 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.5 -30.03 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 5' ' ' GLN . 29.6 mt -72.51 -55.58 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.47 -42.96 67.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.5 pp -75.82 -30.11 58.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -105.66 33.29 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.62 82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -163.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.737 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.66 22.53 11.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.357 0.599 . . . . 0.0 111.074 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.671 ' CD1' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -171.65 -158.21 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.186 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 16' ' ' TYR . . . 70.57 -168.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.84 -42.14 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -162.71 87.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD11 ' CD1' ' A' ' 16' ' ' TYR . 1.3 mt -148.06 130.1 15.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.14 91.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.1 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.896 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.828 0.346 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -160.11 178.47 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.208 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.8 -33.1 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' ILE . 53.6 mm-40 -67.11 -35.11 79.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -44.4 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.42 -31.9 66.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 5' ' ' GLN . 23.7 mt -77.25 -56.25 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -33.16 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.2 pp -86.78 -29.67 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -76.62 -53.68 7.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.64 67.44 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.5 128.04 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -99.38 -165.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.51 21.71 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.255 0.55 . . . . 0.0 111.107 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.32 -160.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.28 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.38 -174.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.13 29.2 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -110.46 -33.26 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -113.28 -45.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.26 141.86 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.96 75.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.848 0.356 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.559 HG22 ' OE1' ' A' ' 5' ' ' GLN . 1.8 t -108.42 175.9 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.86 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.559 ' OE1' HG22 ' A' ' 2' ' ' THR . 34.6 mt-30 -69.68 -39.12 77.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -44.22 92.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.46 -27.9 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.25 -54.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.194 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -51.39 -34.28 33.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.436 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -89.32 -29.97 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.63 56.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.223 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -132.16 53.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -60.19 177.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -162.56 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.9 -161.57 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.335 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.58 133.57 10.14 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -171.48 118.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.11 -171.86 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -39.11 60.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -142.94 110.27 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.67 89.33 3.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.48 139.26 35.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.948 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.836 0.351 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.461 HG22 ' HG2' ' A' ' 5' ' ' GLN . 11.3 t -95.86 -166.36 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -91.61 -30.35 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.24 -38.65 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.461 ' HG2' HG22 ' A' ' 2' ' ' THR . 89.9 mm-40 -64.92 -36.15 83.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -60.38 -46.32 90.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.2 -30.33 62.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.9 mm -74.42 -55.7 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -51.21 -36.72 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.253 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.5 pp -84.42 -26.53 28.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.3 1.1 54.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.508 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -107.5 38.17 2.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -142.64 53.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.75 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.796 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.61 20.91 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.239 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.37 -157.35 0.11 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.266 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.63 32.83 11.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.308 . . . . 0.0 111.079 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.26 -174.4 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -53.58 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -80.13 140.66 36.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 20' ' ' ARG . 3.8 mm? -133.98 -176.47 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.66 144.87 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.861 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 5' ' ' GLN . 9.9 t -121.54 -174.82 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.05 -30.26 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.3 -29.96 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' THR . 3.1 pt20 -80.6 -33.79 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -40.83 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.0 0.429 . . . . 0.0 110.636 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.7 -30.16 65.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.992 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.93 -55.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.87 -34.26 58.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -90.0 -24.27 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -67.67 -29.38 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.218 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -97.04 38.81 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 mtp -108.3 92.09 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -154.06 -162.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.55 -160.99 0.29 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.191 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.04 133.75 8.7 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.622 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.33 36.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.6 -56.72 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -73.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -91.86 -172.47 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tp -149.92 157.58 43.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.06 -178.03 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.896 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.3 t -106.01 172.43 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -74.98 -30.96 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -42.67 99.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' H ' HG23 ' A' ' 2' ' ' THR . 65.8 mt-30 -67.61 -38.07 83.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -42.49 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.13 -33.76 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.89 -55.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.45 -28.08 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.248 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -96.25 -29.34 14.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -62.35 -39.85 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.178 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -119.82 72.79 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 ttm -137.92 -66.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.7 -164.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.67 -163.32 0.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.262 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.33 131.97 10.38 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.549 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.69 103.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.07 -70.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -118.17 -66.02 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.01 85.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.789 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tp -175.95 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.87 32.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.802 0.335 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -97.45 -180.0 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -83.05 -30.79 27.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -35.38 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.738 ' HA ' HD12 ' A' ' 8' ' ' ILE . 81.7 mt-30 -76.45 -35.09 58.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.2 -42.35 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.04 -28.1 64.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 5' ' ' GLN . 25.9 mt -73.77 -55.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -51.1 -35.53 35.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -87.26 -28.4 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -72.76 -30.93 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -139.97 82.24 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.95 4.57 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.493 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.0 t 54.28 -158.1 0.19 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.588 0.232 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.48 19.2 11.57 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.274 0.559 . . . . 0.0 111.057 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.74 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -167.19 -160.18 0.36 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.984 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 16' ' ' TYR . . . 68.45 163.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 92.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 24.2 ttm105 -169.38 -51.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -137.84 30.96 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 16' ' ' TYR . 24.4 mt -151.91 31.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 83.09 5.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 t -127.63 172.31 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -71.95 -28.35 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -34.46 70.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 8' ' ' ILE . 69.6 mt-30 -61.2 -31.48 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -64.43 -44.54 90.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.07 -26.21 60.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.061 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 5' ' ' GLN . 21.7 mt -76.86 -57.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.388 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -27.88 64.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.256 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.0 pp -92.88 -25.49 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -57.2 -31.93 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.313 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 46.36 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -30.21 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -102.12 -160.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.59 -162.79 0.27 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.285 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.99 133.0 9.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.08 36.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.012 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -177.81 -163.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -55.32 -28.4 53.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -74.34 122.98 23.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -158.86 -48.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -33.34 34.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.874 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HA ' HD12 ' A' ' 8' ' ' ILE . 71.8 mt-30 -68.52 -34.44 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.71 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.03 -29.94 65.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 5' ' ' GLN . 26.1 mt -73.97 -55.97 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.92 -43.33 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.583 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.336 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -78.29 -33.94 49.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -42.75 96.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.47 -29.41 64.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.64 -54.98 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.6 -30.55 43.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.6 pp -92.79 -28.49 16.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.634 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 8' ' ' ILE . 54.8 mt-30 -83.67 -32.23 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.144 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.52 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.386 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.5 -31.46 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.03 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 5' ' ' GLN . 30.2 mt -70.23 -55.14 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.33 -33.38 63.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.7 pp -89.31 -26.61 21.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.173 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.869 0.366 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -65.39 -36.18 83.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.598 ' HD2' HD23 ' A' ' 10' ' ' LEU . 1.8 tmm_? -65.31 -40.44 93.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.69 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.85 -30.53 67.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.87 -54.63 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -53.11 -37.2 61.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.273 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.3 pp -85.47 -26.94 26.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.345 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -74.91 -32.08 61.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.807 ' HD2' HD23 ' A' ' 10' ' ' LEU . 4.2 tmm_? -64.63 -44.01 91.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.71 -30.02 63.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -74.4 -56.2 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -40.63 61.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.289 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.807 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.5 pp -79.88 -27.13 40.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.788 0.328 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -76.46 -35.75 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -41.35 97.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.19 -29.14 65.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.0 mm -69.56 -53.73 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -35.29 17.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.412 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -92.96 -27.97 16.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -84.68 -37.67 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -42.55 99.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.44 -31.28 63.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 26.7 mm -76.11 -56.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -52.41 -51.17 60.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.271 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.584 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.4 pp -62.37 -26.9 68.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 8' ' ' ILE . 24.7 mt-30 -64.75 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.1 -40.32 86.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.701 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.5 -30.03 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 5' ' ' GLN . 29.6 mt -72.51 -55.58 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.47 -42.96 67.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.5 pp -75.82 -30.11 58.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' ILE . 53.6 mm-40 -67.11 -35.11 79.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -44.4 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.42 -31.9 66.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 5' ' ' GLN . 23.7 mt -77.25 -56.25 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -33.16 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.2 pp -86.78 -29.67 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.038 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.68 -39.12 77.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -44.22 92.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.46 -27.9 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.25 -54.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.194 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -51.39 -34.28 33.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.436 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -89.32 -29.97 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.223 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.92 -36.15 83.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -60.38 -46.32 90.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.2 -30.33 62.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.9 mm -74.42 -55.7 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -51.21 -36.72 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.253 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.5 pp -84.42 -26.53 28.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.508 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -80.6 -33.79 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -40.83 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.0 0.429 . . . . 0.0 110.636 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.7 -30.16 65.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.992 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.93 -55.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.87 -34.26 58.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -90.0 -24.27 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.218 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -67.61 -38.07 83.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -42.49 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.13 -33.76 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.89 -55.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.45 -28.08 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.248 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -96.25 -29.34 14.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.178 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.738 ' HA ' HD12 ' A' ' 8' ' ' ILE . 81.7 mt-30 -76.45 -35.09 58.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.2 -42.35 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.04 -28.1 64.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 5' ' ' GLN . 25.9 mt -73.77 -55.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -51.1 -35.53 35.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -87.26 -28.4 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 8' ' ' ILE . 69.6 mt-30 -61.2 -31.48 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -64.43 -44.54 90.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.07 -26.21 60.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.061 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 5' ' ' GLN . 21.7 mt -76.86 -57.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.388 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -27.88 64.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.256 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.0 pp -92.88 -25.49 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.313 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 p -116.01 -170.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -69.31 -31.27 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -36.15 68.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HA ' HD12 ' A' ' 8' ' ' ILE . 71.8 mt-30 -68.52 -34.44 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.71 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.03 -29.94 65.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 5' ' ' GLN . 26.1 mt -73.97 -55.97 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.92 -43.33 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.583 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -65.81 -30.25 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -104.57 48.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.16 -65.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -172.69 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.15 21.05 10.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.178 0.513 . . . . 0.0 111.19 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' HE1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -174.29 -155.25 0.06 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.327 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 16' ' ' TYR . . . 70.83 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.924 0.393 . . . . 0.0 111.059 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.59 -68.6 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.891 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -109.89 33.13 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 60.34 86.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.598 HD11 ' HE1' ' A' ' 16' ' ' TYR . 2.6 pt? -156.57 33.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.99 35.29 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.911 0.386 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -129.58 171.95 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.99 -32.14 73.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -34.21 71.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -78.29 -33.94 49.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -42.75 96.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.47 -29.41 64.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.64 -54.98 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.6 -30.55 43.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.6 pp -92.79 -28.49 16.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.634 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -79.67 -31.67 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -123.3 73.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttp -126.97 -59.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -107.55 -164.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.58 19.37 10.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.324 0.583 . . . . 0.0 111.117 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.28 -159.92 0.17 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.836 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.03 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.747 0.308 . . . . 0.0 111.228 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.13 31.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -109.89 57.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 58.36 106.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD13 ' N ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -90.33 134.52 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.561 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -128.96 175.19 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.868 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -134.06 179.25 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -65.5 -37.5 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.51 -32.61 73.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 8' ' ' ILE . 54.8 mt-30 -83.67 -32.23 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.144 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -40.52 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.386 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.5 -31.46 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.03 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 5' ' ' GLN . 30.2 mt -70.23 -55.14 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.33 -33.38 63.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.7 pp -89.31 -26.61 21.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -67.36 -43.6 81.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -103.08 34.65 2.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.77 -65.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.62 -165.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.71 22.06 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.232 0.539 . . . . 0.0 111.194 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -177.59 -159.15 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.366 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 65.68 177.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.05 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -161.88 37.04 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.98 29.44 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 21' ' ' LEU . 3.4 mp -100.05 86.98 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -150.64 -69.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.918 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 5' ' ' GLN . 9.4 t -93.64 -170.15 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -87.91 -30.64 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.49 -45.2 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.492 ' H ' HG23 ' A' ' 2' ' ' THR . 37.3 mt-30 -65.39 -36.18 83.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.598 ' HD2' HD23 ' A' ' 10' ' ' LEU . 1.8 tmm_? -65.31 -40.44 93.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.018 0.437 . . . . 0.0 110.69 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.85 -30.53 67.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.997 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.87 -54.63 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -53.11 -37.2 61.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.273 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.3 pp -85.47 -26.94 26.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.8 -25.31 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.345 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -97.88 31.59 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 ttt -102.81 31.41 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.43 -163.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.51 20.93 10.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.195 0.521 . . . . 0.0 111.123 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.4 -159.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.227 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.02 62.17 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.03 167.46 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -76.02 -45.4 34.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -100.87 29.87 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER 59.35 161.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' N ' HD23 ' A' ' 21' ' ' LEU . . . 61.73 176.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.914 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.878 0.371 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.548 HG22 ' HG3' ' A' ' 5' ' ' GLN . 10.5 t -152.44 -169.85 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -83.14 -31.36 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -30.98 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.548 ' HG3' HG22 ' A' ' 2' ' ' THR . 11.0 mt-30 -74.91 -32.08 61.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.807 ' HD2' HD23 ' A' ' 10' ' ' LEU . 4.2 tmm_? -64.63 -44.01 91.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.546 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.71 -30.02 63.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -74.4 -56.2 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -40.63 61.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.289 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.807 HD23 ' HD2' ' A' ' 6' ' ' ARG . 4.5 pp -79.88 -27.13 40.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -68.88 -29.15 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 84.67 1.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.5 ttp -94.12 45.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -104.24 -161.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.32 21.8 12.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.349 0.595 . . . . 0.0 111.127 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -176.12 -159.55 0.07 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.346 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.58 84.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.659 ' HB3' HD22 ' A' ' 21' ' ' LEU . . . -152.69 155.71 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -65.26 -33.36 75.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 -153.87 110.06 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -78.55 152.11 32.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -156.93 38.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.86 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -110.05 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -90.35 -31.28 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.5 -30.92 68.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -76.46 -35.75 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -41.35 97.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -58.19 -29.14 65.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.0 mm -69.56 -53.73 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -35.29 17.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.412 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 pp -92.96 -27.97 16.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -69.53 -24.27 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.219 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 48.83 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.088 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -90.15 -31.67 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 t 55.44 -163.6 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.06 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.5 -162.18 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.221 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.3 132.72 10.01 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.527 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.24 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.203 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.1 -61.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -39.66 80.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -92.1 176.14 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.7 mt 59.95 175.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 72.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.921 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.871 0.367 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -130.71 -171.25 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.96 -31.03 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -84.68 -37.67 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -42.55 99.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.44 -31.28 63.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.073 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.764 HG22 ' NH2' ' A' ' 12' ' ' ARG . 26.7 mm -76.11 -56.72 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -52.41 -51.17 60.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.271 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.584 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.4 pp -62.37 -26.9 68.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -61.28 -30.55 70.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.764 ' NH2' HG22 ' A' ' 8' ' ' ILE . 61.4 mtm180 -97.59 38.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 -45.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -161.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.85 -161.14 0.28 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.285 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.92 133.9 8.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.641 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.41 70.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.84 86.02 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -172.77 -71.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' N ' HD13 ' A' ' 21' ' ' LEU . 22.3 ttp-105 -152.93 71.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -144.52 -178.58 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -76.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 21' ' ' LEU . 13.4 t-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.9 p -70.41 -174.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -32.07 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -33.79 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 8' ' ' ILE . 24.7 mt-30 -64.75 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HE ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.1 -40.32 86.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.701 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.5 -30.03 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 5' ' ' GLN . 29.6 mt -72.51 -55.58 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -53.47 -42.96 67.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.25 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.5 pp -75.82 -30.11 58.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -105.66 33.29 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.62 82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -163.41 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.737 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.66 22.53 11.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.357 0.599 . . . . 0.0 111.074 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.671 ' CD1' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -171.65 -158.21 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.186 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 16' ' ' TYR . . . 70.57 -168.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.797 0.332 . . . . 0.0 111.025 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.84 -42.14 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -162.71 87.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD11 ' CD1' ' A' ' 16' ' ' TYR . 1.3 mt -148.06 130.1 15.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.14 91.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.1 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.896 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.828 0.346 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -160.11 178.47 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -34.61 76.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.208 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.8 -33.1 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' ILE . 53.6 mm-40 -67.11 -35.11 79.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -44.4 89.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.776 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.42 -31.9 66.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.952 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 5' ' ' GLN . 23.7 mt -77.25 -56.25 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -33.16 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.2 pp -86.78 -29.67 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -76.62 -53.68 7.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.64 67.44 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.5 128.04 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -99.38 -165.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.51 21.71 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.255 0.55 . . . . 0.0 111.107 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.32 -160.09 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.28 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.38 -174.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.13 29.2 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -110.46 -33.26 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -113.28 -45.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.26 141.86 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.96 75.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.848 0.356 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.559 HG22 ' OE1' ' A' ' 5' ' ' GLN . 1.8 t -108.42 175.9 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.86 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.559 ' OE1' HG22 ' A' ' 2' ' ' THR . 34.6 mt-30 -69.68 -39.12 77.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -44.22 92.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -57.46 -27.9 62.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.25 -54.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.194 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -51.39 -34.28 33.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.436 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -89.32 -29.97 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.63 56.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.223 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -132.16 53.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -60.19 177.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -162.56 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.9 -161.57 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.335 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.58 133.57 10.14 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -171.48 118.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.11 -171.86 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -39.11 60.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -142.94 110.27 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.67 89.33 3.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.48 139.26 35.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.948 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.836 0.351 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.461 HG22 ' HG2' ' A' ' 5' ' ' GLN . 11.3 t -95.86 -166.36 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -91.61 -30.35 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.125 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.24 -38.65 90.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.461 ' HG2' HG22 ' A' ' 2' ' ' THR . 89.9 mm-40 -64.92 -36.15 83.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -60.38 -46.32 90.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -56.2 -30.33 62.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.9 mm -74.42 -55.7 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.192 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -51.21 -36.72 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.253 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.5 pp -84.42 -26.53 28.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.3 1.1 54.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.508 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 ttm-85 -107.5 38.17 2.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -142.64 53.67 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.75 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.796 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.61 20.91 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.239 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.37 -157.35 0.11 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.266 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.63 32.83 11.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.308 . . . . 0.0 111.079 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.26 -174.4 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -53.58 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -80.13 140.66 36.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 20' ' ' ARG . 3.8 mm? -133.98 -176.47 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.66 144.87 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.861 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 5' ' ' GLN . 9.9 t -121.54 -174.82 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.05 -30.26 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.3 -29.96 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' THR . 3.1 pt20 -80.6 -33.79 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -40.83 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.0 0.429 . . . . 0.0 110.636 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.7 -30.16 65.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.992 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.93 -55.54 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.87 -34.26 58.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -90.0 -24.27 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -67.67 -29.38 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.218 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -97.04 38.81 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 mtp -108.3 92.09 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -154.06 -162.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.55 -160.99 0.29 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.191 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.04 133.75 8.7 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.622 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.33 36.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.6 -56.72 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -73.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -91.86 -172.47 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tp -149.92 157.58 43.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.06 -178.03 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.896 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.786 0.327 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.3 t -106.01 172.43 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -74.98 -30.96 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -42.67 99.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' H ' HG23 ' A' ' 2' ' ' THR . 65.8 mt-30 -67.61 -38.07 83.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.83 -42.49 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.13 -33.76 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.89 -55.26 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.45 -28.08 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.248 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 11' ' ' ALA . 4.4 pp -96.25 -29.34 14.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -62.35 -39.85 94.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.178 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -119.82 72.79 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 ttm -137.92 -66.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.7 -164.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.67 -163.32 0.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.262 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.33 131.97 10.38 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.549 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.69 103.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.07 -70.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -118.17 -66.02 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.01 85.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.789 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tp -175.95 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.87 32.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.802 0.335 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -97.45 -180.0 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -83.05 -30.79 27.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -35.38 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.738 ' HA ' HD12 ' A' ' 8' ' ' ILE . 81.7 mt-30 -76.45 -35.09 58.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -64.2 -42.35 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HA ' HD21 ' A' ' 10' ' ' LEU . . . -58.04 -28.1 64.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.047 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 5' ' ' GLN . 25.9 mt -73.77 -55.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -51.1 -35.53 35.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 7' ' ' ALA . 4.3 pp -87.26 -28.4 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -72.76 -30.93 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -139.97 82.24 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.95 4.57 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.493 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.0 t 54.28 -158.1 0.19 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.588 0.232 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.48 19.2 11.57 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.274 0.559 . . . . 0.0 111.057 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.74 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -167.19 -160.18 0.36 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.984 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 16' ' ' TYR . . . 68.45 163.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 92.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 24.2 ttm105 -169.38 -51.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -137.84 30.96 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 16' ' ' TYR . 24.4 mt -151.91 31.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.75 83.09 5.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t30 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 t -127.63 172.31 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -71.95 -28.35 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -34.46 70.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 8' ' ' ILE . 69.6 mt-30 -61.2 -31.48 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -64.43 -44.54 90.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -57.07 -26.21 60.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.061 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 5' ' ' GLN . 21.7 mt -76.86 -57.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.388 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -27.88 64.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.256 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 10' ' ' LEU . 4.0 pp -92.88 -25.49 18.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -57.2 -31.93 65.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.313 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.79 46.36 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -30.21 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -102.12 -160.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.59 -162.79 0.27 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.285 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.99 133.0 9.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.08 36.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.012 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -177.81 -163.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -55.32 -28.4 53.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -74.34 122.98 23.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -158.86 -48.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -33.34 34.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.874 179.97 . . . . . . . . 0 0 . 1 stop_ save_