data_1lv4_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 1lv4 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.321 0.0 OUTLIER 35.21 43.14 0.11 Allowed 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 121.562 3.912 . . . . 0.0 121.562 154.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -82.59 -45.11 15.0 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 123.979 0.912 . . . . 0.0 112.348 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.328 15.8 mt 66.4 59.24 0.65 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 127.308 2.243 . . . . 0.0 114.141 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -155.11 81.71 1.07 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 147.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.02 179.01 7.91 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.167 0.987 . . . . 0.0 109.317 -167.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -50.95 21.66 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 115.2 -2.333 . . . . 0.0 110.43 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.287 . . . . . . . 0 CA--C 1.563 1.459 2 CA-C-N 129.054 5.388 . . . . 0.0 109.301 -15.227 . . . . . . . . 2 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -144.09 75.22 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.81 1.644 . . . . 0.0 106.749 -152.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -115.98 122.84 46.44 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -133.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.82 73.6 1.23 Allowed Glycine 0 CA--C 1.561 2.927 1 CA-C-O 112.831 -4.316 . . . . 0.0 112.401 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.14 123.0 7.61 Favored 'Cis proline' 0 C--N 1.393 2.908 1 CA-C-N 126.524 5.162 . . . . 0.0 111.546 5.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.93 82.87 0.35 Allowed Glycine 0 N--CA 1.477 1.403 0 CA-C-O 113.568 -3.907 . . . . 0.0 111.748 -164.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -61.16 138.75 79.81 Favored 'Trans proline' 0 CA--C 1.579 2.744 1 CA-C-N 124.488 4.144 . . . . 0.0 115.557 166.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.1 62.29 1.27 Allowed 'General case' 0 N--CA 1.503 2.19 2 CA-C-N 128.174 4.988 . . . . 0.0 111.607 -0.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.918 2.295 . . . . 0.0 106.002 141.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 CA--C 1.561 1.39 0 N-CA-C 104.083 -2.562 . . . . 0.0 104.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.453 ' HE1' ' H ' ' A' ' 4' ' ' LYS . 7.8 tpt -149.71 138.18 20.73 Favored 'General case' 0 N--CA 1.498 1.926 2 O-C-N 114.56 -5.088 . . . . 0.0 107.085 -5.404 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' H ' ' HE1' ' A' ' 3' ' ' MET . 12.9 mmmm -88.39 90.74 8.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.485 1.114 . . . . 0.0 108.715 -176.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -145.15 -75.88 0.22 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.02 138.8 31.21 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 116.855 -1.545 . . . . 0.0 110.152 123.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.77 177.75 7.74 Favored 'General case' 0 CA--C 1.584 2.287 2 CA-C-N 128.632 5.196 . . . . 0.0 109.123 -6.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -23.17 -9.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.789 1 N-CA-C 124.24 4.904 . . . . 0.0 124.24 146.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.271 . . . . . . . 0 CA--C 1.568 1.641 0 O-C-N 118.388 -2.695 . . . . 0.0 114.657 -85.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -88.39 63.01 6.9 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 122.433 1.111 . . . . 0.0 112.289 -147.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -151.66 -68.16 0.17 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 116.943 -1.503 . . . . 0.0 108.323 -160.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.98 79.5 0.85 Allowed Glycine 0 CA--C 1.56 2.858 1 CA-C-O 112.414 -4.548 . . . . 0.0 110.429 -175.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.06 157.31 97.51 Favored 'Cis proline' 0 C--N 1.385 2.457 1 CA-C-N 126.5 5.15 . . . . 0.0 114.336 13.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.82 -118.83 0.24 Allowed Glycine 0 CA--C 1.563 3.056 1 CA-C-O 112.269 -4.628 . . . . 0.0 113.208 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -64.9 148.4 72.18 Favored 'Cis proline' 0 C--N 1.39 2.753 1 CA-C-N 127.162 5.481 . . . . 0.0 117.208 13.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.11 -13.43 4.51 Favored 'General case' 0 N--CA 1.513 2.721 2 CA-C-N 127.166 4.53 . . . . 0.0 114.367 -7.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.364 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 126.888 2.075 . . . . 0.0 114.025 170.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.0 tpt 46.56 119.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 127.06 2.144 . . . . 0.0 115.241 171.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.347 11.1 mmpt? 68.63 89.51 0.1 Allowed 'General case' 0 CA--C 1.584 2.276 0 C-N-CA 126.89 2.076 . . . . 0.0 111.184 174.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -148.74 105.33 3.55 Favored 'General case' 0 N--CA 1.492 1.625 2 O-C-N 115.582 -4.449 . . . . 0.0 109.263 -4.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -156.57 57.13 0.56 Allowed 'General case' 0 CA--C 1.592 2.583 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 149.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.67 171.38 8.43 Favored 'General case' 0 N--CA 1.494 1.735 2 O-C-N 111.844 -6.785 . . . . 0.0 114.121 4.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -16.8 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.339 1 N-CA-C 122.279 4.177 . . . . 0.0 122.279 158.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.527 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -153.404 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.018 0 CA-C-O 117.536 -1.702 . . . . 0.0 115.664 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -117.16 93.25 4.11 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 123.042 3.421 . . . . 0.0 106.544 -81.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.47 -26.8 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 C-N-CA 126.078 1.751 . . . . 0.0 115.17 -154.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' HXT' ' A' ' 21' ' ' LEU . . . 99.94 74.42 1.12 Allowed Glycine 0 CA--C 1.554 2.51 1 CA-C-O 112.724 -4.376 . . . . 0.0 106.149 -162.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -60.56 136.52 16.39 Favored 'Cis proline' 0 C--N 1.394 2.936 1 CA-C-N 126.261 5.031 . . . . 0.0 118.51 12.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.72 161.14 15.07 Favored Glycine 0 CA--C 1.569 3.443 0 CA-C-O 115.608 -2.773 . . . . 0.0 116.799 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -71.18 116.48 3.11 Favored 'Cis proline' 0 C--N 1.392 2.868 1 CA-C-N 125.088 4.444 . . . . 0.0 109.657 -9.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.316 0.0 OUTLIER 72.87 -41.46 0.5 Allowed 'General case' 0 N--CA 1.519 2.997 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HXT' ' HA2' ' A' ' 16' ' ' GLY . 3.6 pp . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 124.77 2.224 . . . . 0.0 111.477 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.256 22.7 t . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.268 0.08 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.4 mmm -147.36 144.3 28.63 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.809 -160.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -74.55 -64.46 1.03 Allowed 'General case' 0 N--CA 1.504 2.273 2 O-C-N 114.968 -4.833 . . . . 0.0 109.9 -9.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -135.6 -64.55 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.012 1.278 . . . . 0.0 108.301 152.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -102.65 121.7 42.94 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 165.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.305 82.9 t80 -102.93 -101.22 0.29 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -136.27 -59.93 0.73 Allowed 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 115.64 -2.124 . . . . 0.0 105.856 -170.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 2 CA-C-N 128.921 5.328 . . . . 0.0 109.477 -6.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -143.72 14.49 1.75 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 124.854 1.262 . . . . 0.0 112.363 -157.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -139.78 -59.91 0.55 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 116.57 -1.681 . . . . 0.0 108.93 -127.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.81 104.85 0.92 Allowed Glycine 0 CA--C 1.556 2.61 1 CA-C-O 112.669 -4.406 . . . . 0.0 112.59 164.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -82.22 85.76 0.03 OUTLIER 'Cis proline' 0 C--N 1.39 2.732 1 CA-C-N 126.798 5.299 . . . . 0.0 110.245 -3.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.66 49.51 Favored Glycine 1 CA--C 1.578 4.012 0 CA-C-O 115.364 -2.909 . . . . 0.0 115.309 -175.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.45 155.32 70.96 Favored 'Cis proline' 0 C--N 1.386 2.546 1 CA-C-N 124.805 4.302 . . . . 0.0 116.405 -3.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.269 0.0 OUTLIER -91.11 -32.35 15.89 Favored 'General case' 0 N--CA 1.51 2.553 2 O-C-N 115.828 -4.295 . . . . 0.0 113.711 -6.897 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 123.108 1.432 . . . . 0.0 112.375 -176.585 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.299 0.0 OUTLIER -63.21 169.69 3.38 Favored 'General case' 0 CA--C 1.576 1.973 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -173.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.278 10.6 mmpt? 65.97 42.14 3.44 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.721 1.608 . . . . 0.0 113.934 -161.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -151.17 -76.93 0.14 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 160.5 14.48 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.311 1.444 . . . . 0.0 109.2 158.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.31 26.48 Favored 'General case' 0 CA--C 1.584 2.272 0 C-N-CA 124.001 0.92 . . . . 0.0 112.063 -169.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -120.35 109.31 15.2 Favored 'General case' 0 C--N 1.366 1.312 2 O-C-N 113.538 -5.726 . . . . 0.0 110.014 12.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.361 0 CA-C-N 112.932 -1.94 . . . . 0.0 110.57 145.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 N-CA-C 117.41 1.724 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.25 0.0 OUTLIER -166.01 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 124.696 1.198 . . . . 0.0 109.911 -167.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -154.04 132.67 12.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.433 1.493 . . . . 0.0 107.15 -161.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.78 -65.66 0.38 Allowed Glycine 0 CA--C 1.562 2.981 1 CA-C-O 112.616 -4.436 . . . . 0.0 110.848 -172.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.71 144.93 75.45 Favored 'Cis proline' 0 C--N 1.388 2.658 1 CA-C-N 127.065 5.433 . . . . 0.0 112.946 6.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.7 -160.97 21.08 Favored Glycine 1 CA--C 1.579 4.044 0 CA-C-O 115.159 -3.023 . . . . 0.0 114.534 169.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -79.54 112.85 2.74 Favored 'Cis proline' 0 C--N 1.39 2.731 1 CA-C-N 125.63 4.715 . . . . 0.0 111.669 1.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.348 2.7 pm0 165.29 -50.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 127.495 2.318 . . . . 0.0 107.558 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.499 2.003 0 C-N-CA 125.173 1.389 . . . . 0.0 112.882 -175.146 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.5 2.053 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.261 0.4 OUTLIER 59.23 127.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 127.224 2.21 . . . . 0.0 112.856 178.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -153.99 -56.13 0.11 Allowed 'General case' 0 CA--C 1.579 2.065 0 CA-C-O 114.655 -2.593 . . . . 0.0 109.06 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.92 -87.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.86 2 CA-C-N 131.2 6.364 . . . . 0.0 107.245 7.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 t 23.35 67.49 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.889 2.922 . . . . 0.0 118.889 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.273 55.6 t80 -123.61 -121.22 0.27 Allowed 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 105.172 -2.159 . . . . 0.0 105.172 -166.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 0.76 0.1 Allowed 'General case' 0 CA--C 1.576 1.975 0 C-N-CA 127.53 2.332 . . . . 0.0 112.325 -164.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 117.036 2.236 . . . . 0.0 117.036 -121.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.04 109.25 21.08 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -129.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -150.55 89.53 1.57 Allowed 'General case' 0 N--CA 1.503 2.199 2 O-C-N 115.004 -4.81 . . . . 0.0 108.529 18.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.09 87.53 0.08 OUTLIER Glycine 0 CA--C 1.566 3.263 1 CA-C-O 112.136 -4.702 . . . . 0.0 114.868 168.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.3 152.49 96.23 Favored 'Cis proline' 0 C--N 1.386 2.502 1 CA-C-N 127.066 5.433 . . . . 0.0 113.097 3.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.17 -92.23 1.14 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 113.342 -4.032 . . . . 0.0 110.136 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.71 158.81 87.27 Favored 'Cis proline' 0 CA--C 1.573 2.466 1 CA-C-N 125.413 4.606 . . . . 0.0 114.894 1.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.642 HE21 ' H ' ' A' ' 20' ' ' GLN 0.262 0.0 OUTLIER -76.58 -52.34 9.91 Favored 'General case' 0 N--CA 1.511 2.612 1 O-C-N 115.758 -4.339 . . . . 0.0 112.145 14.799 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 124.443 2.068 . . . . 0.0 110.301 -169.011 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.575 1.93 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 ttp -150.67 140.17 21.51 Favored 'General case' 0 N--CA 1.497 1.901 2 O-C-N 113.584 -5.698 . . . . 0.0 107.466 -9.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 66.48 87.0 0.13 Allowed 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 126.823 2.049 . . . . 0.0 108.683 -173.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.78 134.22 40.49 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.926 0.491 . . . . 0.0 110.545 -152.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 63.91 88.34 0.1 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 126.486 1.915 . . . . 0.0 111.136 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.276 79.9 t80 -111.44 -88.64 0.52 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -162.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -58.5 0.1 Allowed 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.229 -2.319 . . . . 0.0 107.001 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.658 2 CA-C-N 129.523 5.601 . . . . 0.0 111.052 3.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.381 0 N-CA-C 106.886 -2.486 . . . . 0.0 106.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -83.52 47.41 1.27 Allowed 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -161.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -141.34 -62.6 0.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.557 -1.687 . . . . 0.0 110.843 -138.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.78 73.29 1.08 Allowed Glycine 0 CA--C 1.562 2.993 1 CA-C-O 112.539 -4.479 . . . . 0.0 112.651 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -69.93 156.82 93.06 Favored 'Cis proline' 0 C--N 1.389 2.671 1 CA-C-N 126.979 5.389 . . . . 0.0 114.16 2.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' H ' HD23 ' A' ' 21' ' ' LEU . . . -65.51 -111.34 0.01 OUTLIER Glycine 0 CA--C 1.565 3.205 1 CA-C-O 112.033 -4.76 . . . . 0.0 114.387 -177.307 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -75.86 153.85 98.1 Favored 'Cis proline' 0 CA--C 1.578 2.703 1 CA-C-N 127.526 5.663 . . . . 0.0 116.332 8.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.85 62.55 0.67 Allowed 'General case' 0 N--CA 1.511 2.603 2 CA-C-N 127.871 4.85 . . . . 0.0 108.531 -6.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 18' ' ' GLY 0.28 19.9 mt . . . . . 0 N--CA 1.499 1.99 0 C-N-CA 126.502 1.921 . . . . 0.0 112.55 -164.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.541 ' H ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mmm -143.44 132.96 23.54 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.862 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 22.66 14.07 Favored 'General case' 0 CA--C 1.597 2.781 2 O-C-N 114.35 -5.219 . . . . 0.0 115.129 12.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.48 160.88 14.56 Favored 'General case' 0 N--CA 1.489 1.487 2 O-C-N 110.329 -7.732 . . . . 0.0 108.849 5.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p 74.95 116.88 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 127.14 2.176 . . . . 0.0 111.07 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -130.18 -81.77 0.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.351 1.032 . . . . 0.0 108.39 -165.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 31.2 ptt180 147.47 -57.95 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 C-N-CA 126.098 1.759 . . . . 0.0 106.697 -132.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.153 0 C-N-CA 129.162 2.985 . . . . 0.0 116.499 -178.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.347 0 N-CA-C 106.314 -2.715 . . . . 0.0 106.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.74 71.26 4.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.513 1.149 . . . . 0.0 110.453 -139.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -145.31 -70.54 0.27 Allowed 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.059 -141.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.94 93.15 0.06 OUTLIER Glycine 0 CA--C 1.565 3.158 1 CA-C-O 112.263 -4.632 . . . . 0.0 113.648 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.54 78.6 0.09 OUTLIER 'Cis proline' 0 C--N 1.389 2.693 1 CA-C-N 126.965 5.383 . . . . 0.0 113.637 5.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.5 -148.72 50.5 Favored Glycine 0 CA--C 1.573 3.699 0 CA-C-O 114.48 -3.4 . . . . 0.0 118.083 165.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.28 150.35 79.49 Favored 'Cis proline' 0 C--N 1.391 2.765 1 CA-C-N 124.708 4.254 . . . . 0.0 114.892 3.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.49 3.49 2.8 Favored 'General case' 0 N--CA 1.516 2.837 2 O-C-N 115.316 -4.615 . . . . 0.0 115.347 5.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.541 ' HG ' ' H ' ' A' ' 3' ' ' MET 0.377 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.452 0 C-N-CA 125.911 1.685 . . . . 0.0 114.947 165.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 117.588 -1.196 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -12.38 152.83 0.0 OUTLIER 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 121.569 3.915 . . . . 0.0 121.569 166.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -85.39 96.27 9.51 Favored 'General case' 0 N--CA 1.496 1.87 2 CA-C-N 128.032 4.924 . . . . 0.0 106.825 -11.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 tp -125.96 -76.52 0.58 Allowed 'General case' 0 CA--C 1.561 1.366 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -136.46 119.65 16.65 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 161.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.428 ' HA ' ' H ' ' A' ' 9' ' ' ALA . 10.0 p90 -106.13 154.15 21.07 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.97 29.11 0.21 Allowed 'General case' 0 N--CA 1.511 2.582 1 O-C-N 115.626 -4.421 . . . . 0.0 113.194 -8.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' H ' ' HA ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.575 1.927 0 O-C-N 116.918 -3.614 . . . . 0.0 116.249 -91.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.396 0 CA-C-O 118.571 -1.127 . . . . 0.0 115.673 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.4 71.08 1.26 Allowed 'General case' 0 N--CA 1.509 2.492 2 CA-C-N 126.529 5.164 . . . . 0.0 109.702 11.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -149.47 -46.92 0.14 Allowed 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.931 -150.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.38 97.53 Favored Glycine 0 CA--C 1.573 3.714 1 CA-C-O 111.626 -4.986 . . . . 0.0 118.794 -169.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.89 145.79 85.0 Favored 'Cis proline' 0 C--N 1.392 2.842 1 CA-C-N 128.558 6.179 . . . . 0.0 113.369 13.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.82 165.62 12.06 Favored Glycine 0 CA--C 1.575 3.801 0 CA-C-O 115.743 -2.698 . . . . 0.0 116.279 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.63 128.75 16.35 Favored 'Cis proline' 0 C--N 1.393 2.881 1 CA-C-N 124.209 4.005 . . . . 0.0 111.036 6.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 0.0 OUTLIER -131.93 -46.28 0.94 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 125.134 1.521 . . . . 0.0 111.161 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 125.014 2.34 . . . . 0.0 111.044 173.439 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.0 mmm -140.36 123.02 16.28 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.426 -1.273 . . . . 0.0 108.026 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -76.22 -59.01 2.95 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 114.447 -5.158 . . . . 0.0 110.869 -4.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -146.28 -55.51 0.27 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 121.594 1.997 . . . . 0.0 112.527 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -89.38 -61.68 1.65 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.94 -161.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.312 55.8 t80 -124.49 -89.95 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 2 CA-C-N 130.692 6.133 . . . . 0.0 106.608 -2.058 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -147.2 -62.59 0.28 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -167.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 2 CA-C-N 129.218 5.463 . . . . 0.0 110.452 -6.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 N-CA-C 105.436 -3.066 . . . . 0.0 105.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -85.79 52.09 2.38 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-O 123.384 1.564 . . . . 0.0 113.078 -162.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER 176.23 -49.9 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 124.869 1.268 . . . . 0.0 110.857 -140.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.93 -146.89 17.57 Favored Glycine 0 CA--C 1.56 2.876 0 CA-C-O 114.782 -3.232 . . . . 0.0 110.358 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -72.34 107.04 2.18 Favored 'Trans proline' 0 C--N 1.39 2.737 1 CA-C-N 127.044 5.422 . . . . 0.0 113.286 -161.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.67 -143.85 6.32 Favored Glycine 0 CA--C 1.574 3.755 2 CA-C-N 128.613 5.188 . . . . 0.0 111.656 4.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -69.87 151.83 92.06 Favored 'Cis proline' 0 C--N 1.386 2.533 1 CA-C-N 125.382 4.591 . . . . 0.0 114.931 -5.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.427 HE21 ' H ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -92.19 -37.81 12.49 Favored 'General case' 0 N--CA 1.524 3.249 2 O-C-N 115.514 -4.492 . . . . 0.0 112.962 -10.303 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 124.926 2.298 . . . . 0.0 110.155 -169.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.355 1.5 tpt -80.79 -68.15 0.71 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 117.515 -1.231 . . . . 0.0 111.147 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.7 -9.63 21.32 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 169.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.307 11.6 mt 66.09 67.21 0.47 Allowed 'General case' 0 N--CA 1.509 2.5 0 C-N-CA 127.473 2.309 . . . . 0.0 112.409 -169.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -159.98 -172.89 3.81 Favored 'General case' 0 CA--C 1.601 2.921 0 CA-C-N 112.159 -2.291 . . . . 0.0 107.499 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.06 -67.5 0.84 Allowed 'General case' 0 N--CA 1.493 1.711 2 O-C-N 110.847 -7.408 . . . . 0.0 109.453 -9.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -65.36 0.09 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 101.978 -3.342 . . . . 0.0 101.978 -153.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.753 2 CA-C-N 129.437 5.562 . . . . 0.0 113.018 2.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -140.24 43.93 1.89 Allowed 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.645 0.778 . . . . 0.0 110.79 -165.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER -143.72 -74.22 0.26 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 116.537 -1.697 . . . . 0.0 108.945 -155.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' H ' HE22 ' A' ' 20' ' ' GLN . . . 75.4 109.09 0.1 Allowed Glycine 0 CA--C 1.565 3.186 1 CA-C-O 111.523 -5.043 . . . . 0.0 112.467 -178.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -88.0 157.87 43.58 Favored 'Cis proline' 0 C--N 1.388 2.607 1 CA-C-N 128.12 5.96 . . . . 0.0 114.065 2.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.99 -166.59 34.7 Favored Glycine 0 CA--C 1.576 3.845 0 CA-C-O 115.276 -2.958 . . . . 0.0 114.37 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -108.3 16.19 0.1 Allowed 'Trans proline' 0 CA--C 1.601 3.874 1 CA-C-N 125.253 4.526 . . . . 0.0 121.98 159.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.509 HE22 ' H ' ' A' ' 16' ' ' GLY 0.468 0.9 OUTLIER 64.63 -55.75 0.27 Allowed 'General case' 0 N--CA 1.496 1.834 2 CA-C-N 133.954 7.615 . . . . 0.0 115.217 19.131 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 5.5 mp . . . . . 0 N--CA 1.497 1.896 0 C-N-CA 128.296 2.638 . . . . 0.0 113.789 171.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.518 ' H ' HE22 ' A' ' 20' ' ' GLN . 15.2 t . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 4' ' ' LYS . 4.9 ptm -65.49 153.41 41.48 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 117.101 2.259 . . . . 0.0 117.101 -170.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 3' ' ' MET . 0.0 OUTLIER -103.58 100.3 10.14 Favored 'General case' 0 N--CA 1.493 1.709 2 CA-C-N 127.679 4.763 . . . . 0.0 104.964 -18.233 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -139.86 -72.13 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -94.1 123.22 37.34 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 116.379 -1.772 . . . . 0.0 107.69 150.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -142.8 -85.02 0.16 Allowed 'General case' 0 N--CA 1.496 1.859 2 CA-C-N 128.549 5.159 . . . . 0.0 110.42 -0.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 13.77 0.95 Allowed 'General case' 0 CA--C 1.591 2.549 0 C-N-CA 126.855 2.062 . . . . 0.0 113.508 -166.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.265 . . . . . . . 0 CA--C 1.559 1.316 0 O-C-N 117.371 -3.331 . . . . 0.0 116.058 -83.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.59 52.19 2.4 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.944 1.354 . . . . 0.0 112.08 -165.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER 177.71 -64.9 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 116.417 -1.754 . . . . 0.0 108.447 -146.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.82 96.82 0.84 Allowed Glycine 0 CA--C 1.556 2.619 1 CA-C-O 111.936 -4.813 . . . . 0.0 113.22 171.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.39 150.59 37.51 Favored 'Cis proline' 0 CA--C 1.58 2.822 1 CA-C-N 127.656 5.728 . . . . 0.0 113.783 -7.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.61 -153.16 24.55 Favored Glycine 1 CA--C 1.579 4.079 2 CA-C-N 129.728 5.695 . . . . 0.0 112.559 1.227 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.48 135.49 15.85 Favored 'Cis proline' 0 C--N 1.392 2.83 1 CA-C-N 125.028 4.414 . . . . 0.0 114.307 -1.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.518 HE22 ' H ' ' A' ' 2' ' ' SER 0.265 1.1 pp0? -160.55 -15.86 0.05 Allowed 'General case' 0 N--CA 1.524 3.26 1 CA-C-N 126.632 4.287 . . . . 0.0 115.814 2.706 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 122.976 1.37 . . . . 0.0 113.701 -176.817 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.456 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 58.2 mmm -124.48 134.27 53.09 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.34 -174.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 3' ' ' MET . 0.7 OUTLIER -119.78 57.67 0.91 Allowed 'General case' 0 CA--C 1.592 2.585 2 O-C-N 114.245 -5.285 . . . . 0.0 110.225 16.071 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.59 -34.97 67.78 Favored 'General case' 0 N--CA 1.506 2.374 2 O-C-N 111.012 -7.305 . . . . 0.0 113.759 -11.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -74.76 115.12 13.98 Favored 'General case' 0 CA--C 1.578 2.02 0 CA-C-O 116.803 -1.57 . . . . 0.0 109.859 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.38 -68.99 0.46 Allowed 'General case' 0 N--CA 1.493 1.721 2 CA-C-N 128.56 5.164 . . . . 0.0 111.665 7.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -127.26 -145.03 0.31 Allowed 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 -150.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 1.635 0 O-C-N 116.778 -3.701 . . . . 0.0 106.265 98.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -89.37 41.99 1.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 123.437 1.589 . . . . 0.0 110.946 168.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -164.39 -51.98 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 117.325 -1.321 . . . . 0.0 108.91 -125.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.09 -45.93 56.55 Favored Glycine 0 CA--C 1.574 3.771 1 CA-C-O 112.057 -4.746 . . . . 0.0 118.475 -177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -69.24 147.6 83.87 Favored 'Cis proline' 0 C--N 1.393 2.871 1 CA-C-N 128.194 5.997 . . . . 0.0 114.163 8.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.09 -152.45 5.93 Favored Glycine 0 CA--C 1.573 3.695 0 CA-C-O 115.077 -3.068 . . . . 0.0 115.128 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.66 111.4 1.42 Allowed 'Cis proline' 0 C--N 1.393 2.902 1 CA-C-N 124.875 4.338 . . . . 0.0 111.232 6.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -44.9 3.36 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.82 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.492 1.646 0 CA-C-N 120.074 1.306 . . . . 0.0 109.795 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 CA--C 1.567 1.616 0 CA-C-O 118.189 -0.91 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.332 0.0 OUTLIER -126.35 -58.93 1.33 Allowed 'General case' 0 N--CA 1.508 2.437 2 O-C-N 113.644 -5.66 . . . . 0.0 112.796 12.654 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 108.01 20.17 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 172.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.84 136.93 38.15 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.026 0.53 . . . . 0.0 111.194 -146.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t 62.0 96.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 126.918 2.087 . . . . 0.0 111.013 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.351 86.6 t80 -111.09 -112.07 0.33 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 116.357 -1.783 . . . . 0.0 108.427 -154.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -137.94 -62.17 0.6 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 115.604 -2.141 . . . . 0.0 106.185 -160.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 2 CA-C-N 129.1 5.409 . . . . 0.0 111.649 0.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.004 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.15 21.09 0.94 Allowed 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -166.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -146.87 -63.99 0.29 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 116.542 -1.694 . . . . 0.0 109.437 -134.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.03 81.61 0.77 Allowed Glycine 0 CA--C 1.565 3.178 1 CA-C-O 111.989 -4.784 . . . . 0.0 111.248 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -91.78 109.14 0.87 Allowed 'Cis proline' 0 C--N 1.389 2.681 1 CA-C-N 127.479 5.639 . . . . 0.0 113.865 7.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.52 30.61 Favored Glycine 0 CA--C 1.57 3.525 0 CA-C-O 115.211 -2.994 . . . . 0.0 119.086 150.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.93 117.86 5.03 Favored 'Cis proline' 0 CA--C 1.58 2.799 0 CA-C-N 124.175 3.988 . . . . 0.0 112.859 8.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.472 ' C ' ' HXT' ' A' ' 21' ' ' LEU . 5.3 mm-40 -114.81 145.86 41.67 Favored 'General case' 0 N--CA 1.5 2.035 2 CA-C-N 128.613 5.188 . . . . 0.0 109.618 -4.143 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HXT' ' C ' ' A' ' 20' ' ' GLN 0.266 13.7 mt . . . . . 0 N--CA 1.508 2.469 0 C-N-CA 126.648 1.979 . . . . 0.0 113.585 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.466 ' HE3' ' H ' ' A' ' 4' ' ' LYS . 5.9 tpt -87.86 138.96 31.0 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.459 0.704 . . . . 0.0 110.149 -169.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' H ' ' HE3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -111.83 101.93 10.23 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 -163.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 mt -145.15 -92.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 102.007 -3.331 . . . . 0.0 102.007 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -175.03 115.46 0.16 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 121.152 1.796 . . . . 0.0 107.308 147.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -140.68 -57.85 0.52 Allowed 'General case' 0 N--CA 1.502 2.139 2 O-C-N 114.82 -4.925 . . . . 0.0 109.65 -17.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -7.81 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 121.742 3.979 . . . . 0.0 121.742 98.386 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 115.231 -2.319 . . . . 0.0 117.01 -149.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.229 0 CA-C-O 122.677 1.154 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -144.21 -8.55 0.69 Allowed 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 113.56 -1.32 . . . . 0.0 114.337 -169.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 -49.37 0.28 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.077 1.351 . . . . 0.0 111.252 -168.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 73.4 1.27 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 112.322 -4.599 . . . . 0.0 108.944 -174.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.89 153.38 97.43 Favored 'Cis proline' 0 C--N 1.388 2.633 1 CA-C-N 126.667 5.233 . . . . 0.0 114.031 12.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.65 -94.38 0.56 Allowed Glycine 0 CA--C 1.557 2.672 1 CA-C-O 112.892 -4.282 . . . . 0.0 113.76 -165.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.89 139.98 62.53 Favored 'Cis proline' 0 CA--C 1.579 2.749 1 CA-C-N 126.021 4.91 . . . . 0.0 114.179 10.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -113.44 85.74 2.25 Favored 'General case' 0 N--CA 1.503 2.177 2 CA-C-N 128.255 5.025 . . . . 0.0 108.887 0.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.312 14.5 mt . . . . . 0 N--CA 1.501 2.088 0 C-N-CA 126.628 1.971 . . . . 0.0 111.764 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.482 ' H ' HD11 ' A' ' 5' ' ' LEU . 39.1 t . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.542 0.686 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.322 13.0 ptm 59.5 139.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.378 1.871 . . . . 0.0 114.623 171.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? 51.03 64.96 1.62 Allowed 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 125.979 1.712 . . . . 0.0 114.03 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 ' H ' ' A' ' 2' ' ' SER . 18.4 mt -146.35 -68.55 0.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 117.812 -1.09 . . . . 0.0 108.68 -174.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -108.86 -51.41 2.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.876 1.27 . . . . 0.0 112.749 174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.325 0.1 OUTLIER 65.09 147.44 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.745 1.618 . . . . 0.0 114.741 166.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -69.93 -51.77 30.05 Favored 'General case' 0 N--CA 1.5 2.027 2 O-C-N 115.727 -4.358 . . . . 0.0 111.461 13.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 2 CA-C-N 128.622 5.192 . . . . 0.0 113.942 -19.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 122.481 3.752 . . . . 0.0 122.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -16.69 5.1 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -145.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -130.61 -47.36 1.06 Allowed 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.97 -144.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.57 89.5 Favored Glycine 0 CA--C 1.571 3.589 1 CA-C-O 111.412 -5.105 . . . . 0.0 118.143 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.14 147.08 82.18 Favored 'Cis proline' 0 C--N 1.391 2.795 1 CA-C-N 128.64 6.22 . . . . 0.0 114.03 16.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA2' HE21 ' A' ' 20' ' ' GLN . . . -105.46 -179.29 23.91 Favored Glycine 1 CA--C 1.579 4.061 0 CA-C-O 115.563 -2.799 . . . . 0.0 115.582 172.537 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -77.59 134.06 33.11 Favored 'Cis proline' 0 C--N 1.394 2.956 1 CA-C-N 125.415 4.608 . . . . 0.0 111.703 4.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.468 HE21 ' HA2' ' A' ' 18' ' ' GLY 0.359 0.1 OUTLIER 150.38 -56.22 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 127.006 2.122 . . . . 0.0 107.384 -168.231 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 125.146 2.403 . . . . 0.0 106.04 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.25 17.2 ttp 51.31 152.81 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 127.141 2.176 . . . . 0.0 115.314 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? 54.67 78.8 0.16 Allowed 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 126.339 1.856 . . . . 0.0 112.679 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.38 -107.37 0.1 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -152.78 84.17 1.23 Allowed 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 103.703 -2.703 . . . . 0.0 103.703 148.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.358 53.3 t80 71.66 143.06 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 2 O-C-N 114.231 -5.293 . . . . 0.0 110.916 11.008 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.95 -59.51 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 CA-C-N 110.792 -2.913 . . . . 0.0 104.844 -142.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.374 . . . . . . . 0 CA--C 1.569 1.676 0 C-N-CA 127.54 2.336 . . . . 0.0 116.269 -172.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.6 0 N-CA-C 118.535 2.174 . . . . 0.0 118.535 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.98 -48.03 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 119.005 1.403 . . . . 0.0 111.374 -165.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -116.66 -52.02 2.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.808 -1.568 . . . . 0.0 112.882 -153.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.25 -38.6 41.02 Favored Glycine 1 CA--C 1.579 4.039 1 CA-C-O 111.065 -5.297 . . . . 0.0 118.88 -178.702 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.15 152.57 18.86 Favored 'Cis proline' 0 C--N 1.393 2.903 1 CA-C-N 129.971 6.885 . . . . 0.0 114.764 -2.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.78 152.0 7.77 Favored Glycine 0 CA--C 1.568 3.345 0 CA-C-O 114.41 -3.439 . . . . 0.0 116.812 160.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -78.41 92.03 1.16 Allowed 'Trans proline' 0 C--N 1.398 3.159 1 CA-C-N 125.952 4.876 . . . . 0.0 110.891 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.357 3.5 pp0? 156.46 -53.08 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 126.658 1.983 . . . . 0.0 107.375 -152.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.367 1.356 0 CA-C-O 124.167 1.937 . . . . 0.0 106.098 169.673 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.291 11.6 ttt 52.04 141.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.03 2.132 . . . . 0.0 115.621 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.267 65.5 mmtt 47.98 66.68 0.98 Allowed 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 126.721 2.008 . . . . 0.0 115.082 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.6 -65.34 0.29 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.618 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.461 ' H ' HD21 ' A' ' 21' ' ' LEU . 42.3 t -105.47 -52.85 2.75 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 116.423 -1.751 . . . . 0.0 113.271 176.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.25 0.5 OUTLIER 62.94 158.12 0.07 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 121.979 2.172 . . . . 0.0 113.808 167.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -96.45 111.17 23.37 Favored 'General case' 0 N--CA 1.478 0.945 2 O-C-N 114.039 -5.413 . . . . 0.0 109.464 11.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.924 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.088 137.429 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 117.417 1.727 . . . . 0.0 117.417 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -152.16 -19.41 0.18 Allowed 'General case' 0 N--CA 1.511 2.597 0 C-N-CA 124.707 1.203 . . . . 0.0 114.067 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -149.28 -46.03 0.14 Allowed 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 125.354 1.462 . . . . 0.0 112.879 -140.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.564 ' HA3' ' HXT' ' A' ' 21' ' ' LEU . . . -58.27 -56.23 26.37 Favored Glycine 0 CA--C 1.571 3.567 1 CA-C-O 112.34 -4.589 . . . . 0.0 115.583 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.3 146.17 76.6 Favored 'Cis proline' 0 C--N 1.387 2.573 1 CA-C-N 127.075 5.437 . . . . 0.0 112.772 -0.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.26 126.05 0.83 Allowed Glycine 0 CA--C 1.554 2.495 1 CA-C-O 113.006 -4.219 . . . . 0.0 114.436 172.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.76 76.84 3.18 Favored 'Trans proline' 0 C--N 1.391 2.795 1 CA-C-N 126.15 4.975 . . . . 0.0 113.323 168.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.339 3.0 pm0 163.19 -49.28 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 127.949 2.499 . . . . 0.0 107.769 -167.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.564 ' HXT' ' HA3' ' A' ' 16' ' ' GLY . 3.4 pp . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 124.601 2.143 . . . . 0.0 110.962 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 122.145 0.974 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.318 0.2 OUTLIER 52.56 121.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 127.594 2.358 . . . . 0.0 115.201 172.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.268 47.8 mmtt 41.1 68.49 0.43 Allowed 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 126.933 2.093 . . . . 0.0 115.842 -173.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -144.78 -74.79 0.24 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -149.17 113.39 5.21 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 163.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.526 ' HA ' ' H ' ' A' ' 9' ' ' ALA 0.27 6.9 t80 67.48 100.36 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 2 O-C-N 114.038 -5.414 . . . . 0.0 109.696 6.008 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.25 85.27 7.24 Favored 'General case' 0 N--CA 1.487 1.408 2 O-C-N 114.611 -5.056 . . . . 0.0 113.235 10.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.526 ' H ' ' HA ' ' A' ' 7' ' ' PHE . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.062 107.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 117.091 1.597 . . . . 0.0 117.091 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.6 -67.29 0.12 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -176.067 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 145.58 25.98 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.142 1.377 . . . . 0.0 109.383 162.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.41 -74.92 0.2 Allowed Glycine 0 CA--C 1.553 2.419 1 CA-C-O 113.026 -4.208 . . . . 0.0 108.361 175.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -72.63 146.36 86.39 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 126.136 4.968 . . . . 0.0 113.287 0.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.21 -149.86 5.1 Favored Glycine 0 CA--C 1.571 3.55 0 CA-C-O 114.533 -3.371 . . . . 0.0 115.329 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -78.4 134.45 33.5 Favored 'Cis proline' 0 C--N 1.39 2.739 1 CA-C-N 125.581 4.691 . . . . 0.0 112.595 5.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -164.26 -37.95 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.958 1.703 . . . . 0.0 111.863 166.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 122.881 1.324 . . . . 0.0 109.21 -165.452 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -77.24 148.5 35.76 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.349 1.06 . . . . 0.0 113.258 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.36 64.3 mmtt 52.59 77.19 0.16 Allowed 'General case' 0 CA--C 1.581 2.173 0 C-N-CA 127.49 2.316 . . . . 0.0 114.767 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.15 138.77 42.25 Favored 'General case' 0 N--CA 1.494 1.746 1 O-C-N 115.218 -4.676 . . . . 0.0 110.625 -9.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -133.12 134.82 44.72 Favored 'General case' 0 N--CA 1.494 1.767 2 CA-C-N 129.176 5.444 . . . . 0.0 107.765 -8.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.8 -55.13 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 1 O-C-N 114.961 -4.837 . . . . 0.0 114.403 55.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.342 0.0 OUTLIER 151.72 -50.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 127.864 2.466 . . . . 0.0 105.763 -137.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB1' ' H ' ' A' ' 13' ' ' GLY . . . . . . . . 0 C--N 1.367 1.349 0 C-N-CA 128.688 2.795 . . . . 0.0 113.437 -160.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.441 ' H ' ' HB1' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.497 2.745 0 N-CA-C 115.099 0.8 . . . . 0.0 115.099 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 13.2 m-85 55.1 42.19 31.01 Favored 'General case' 0 CA--C 1.59 2.513 0 C-N-CA 126.884 2.073 . . . . 0.0 114.879 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -152.19 115.8 4.81 Favored 'General case' 0 N--CA 1.497 1.875 2 O-C-N 112.223 -6.548 . . . . 0.0 106.879 -8.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.24 80.46 0.88 Allowed Glycine 0 CA--C 1.559 2.842 1 CA-C-O 112.61 -4.439 . . . . 0.0 113.454 147.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -60.57 147.99 46.21 Favored 'Cis proline' 0 C--N 1.392 2.865 1 CA-C-N 126.459 5.129 . . . . 0.0 114.864 4.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.89 0.17 Allowed Glycine 0 CA--C 1.568 3.405 1 CA-C-O 112.894 -4.281 . . . . 0.0 115.982 -162.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.419 1.3 Cg_exo 11.51 -97.76 0.0 OUTLIER 'Cis proline' 0 C--N 1.389 2.661 2 CA-C-N 128.225 6.013 . . . . 0.0 123.085 27.131 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.259 1.8 pm0 -133.84 -47.7 0.8 Allowed 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 122.106 2.23 . . . . 0.0 115.04 -165.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.579 1.657 . . . . 0.0 107.717 -178.834 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.6 ptm -31.06 145.58 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.225 0 N-CA-C 119.976 3.324 . . . . 0.0 119.976 -172.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.274 10.6 mmpt? 66.08 81.6 0.2 Allowed 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 127.019 2.128 . . . . 0.0 111.198 -178.064 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.7 mt -146.85 -73.98 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -178.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -138.5 -54.31 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.427 1.491 . . . . 0.0 112.032 167.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.383 0.0 OUTLIER 66.69 159.45 0.14 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 123.4 1.571 . . . . 0.0 114.333 144.5 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -48.59 0.7 Allowed 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.5 173.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.356 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -151.2 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.334 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 -2.36 1.21 Allowed 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -149.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtt-85 -128.77 -53.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.962 -1.495 . . . . 0.0 112.813 -148.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.36 -45.51 90.34 Favored Glycine 0 CA--C 1.574 3.77 1 CA-C-O 111.563 -5.02 . . . . 0.0 117.06 -175.083 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.01 149.92 94.92 Favored 'Cis proline' 0 C--N 1.391 2.815 1 CA-C-N 128.815 6.307 . . . . 0.0 113.301 4.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.0 -151.23 5.45 Favored Glycine 0 CA--C 1.567 3.324 0 CA-C-O 114.575 -3.347 . . . . 0.0 116.71 -175.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -82.81 139.57 38.51 Favored 'Cis proline' 0 C--N 1.389 2.682 1 CA-C-N 125.049 4.424 . . . . 0.0 112.769 10.195 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.541 HE21 ' HG ' ' A' ' 21' ' ' LEU 0.279 3.6 pm0 -167.21 -41.06 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.367 -1.778 . . . . 0.0 112.52 170.231 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.541 ' HG ' HE21 ' A' ' 20' ' ' GLN . 16.3 mt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 125.311 2.481 . . . . 0.0 113.029 -153.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 121.824 0.821 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.294 0.3 OUTLIER 55.0 94.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.664 2.386 . . . . 0.0 114.512 173.277 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.389 9.3 mmmm 70.85 107.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 126.658 1.983 . . . . 0.0 114.416 154.362 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt 65.49 168.74 0.2 Allowed 'General case' 0 N--CA 1.521 3.101 1 CA-C-N 126.435 4.198 . . . . 0.0 110.756 -3.006 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -128.9 111.52 13.14 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -143.48 140.07 30.16 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -174.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.512 ' H ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -25.55 -10.95 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.106 1 N-CA-C 124.453 4.983 . . . . 0.0 124.453 134.258 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.516 1 N-CA-C 121.959 4.059 . . . . 0.0 121.959 -120.162 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 105.975 -2.85 . . . . 0.0 105.975 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -88.66 66.44 8.11 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.667 1.223 . . . . 0.0 111.84 -145.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -143.03 -77.57 0.24 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 116.739 -1.6 . . . . 0.0 108.548 -141.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.8 96.42 0.01 OUTLIER Glycine 0 CA--C 1.57 3.48 1 CA-C-O 112.241 -4.644 . . . . 0.0 113.775 -170.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.37 82.25 0.05 OUTLIER 'Cis proline' 0 C--N 1.386 2.51 1 CA-C-N 126.865 5.332 . . . . 0.0 113.931 14.006 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.02 -156.44 0.66 Allowed Glycine 1 CA--C 1.58 4.113 0 CA-C-O 114.575 -3.347 . . . . 0.0 118.662 166.028 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.77 169.74 31.43 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 125.094 4.447 . . . . 0.0 114.376 -8.835 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.85 -1.02 50.34 Favored 'General case' 0 N--CA 1.512 2.656 2 O-C-N 113.878 -5.514 . . . . 0.0 116.083 -2.621 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 125.15 2.405 . . . . 0.0 110.144 167.782 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.1 ttp -46.71 143.73 2.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.309 19.4 mmtp 54.35 72.16 0.47 Allowed 'General case' 0 CA--C 1.581 2.172 0 C-N-CA 126.98 2.112 . . . . 0.0 111.638 -176.289 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -46.88 142.31 3.5 Favored 'General case' 0 N--CA 1.5 2.025 2 O-C-N 113.655 -5.653 . . . . 0.0 119.12 14.552 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.618 ' HG ' HH21 ' A' ' 8' ' ' ARG . 78.3 p -143.22 -49.16 0.32 Allowed 'General case' 0 N--CA 1.495 1.775 2 CA-C-N 127.206 4.548 . . . . 0.0 113.269 -17.559 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HB3' ' H ' ' A' ' 6' ' ' SER . 1.4 p90 -153.04 138.33 17.5 Favored 'General case' 0 N--CA 1.493 1.677 2 CA-C-N 131.138 6.335 . . . . 0.0 107.812 5.725 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.618 HH21 ' HG ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -35.54 -14.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.994 1 N-CA-C 124.071 4.841 . . . . 0.0 124.071 146.95 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.63 0 N-CA-C 121.231 3.789 . . . . 0.0 121.231 -119.963 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.511 0 N-CA-C 117.635 1.814 . . . . 0.0 117.635 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.556 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -156.38 -22.63 0.1 Allowed 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.928 1.291 . . . . 0.0 112.223 -166.14 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HG3' ' H ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -144.78 159.95 42.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 119.281 -2.137 . . . . 0.0 111.642 -93.47 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.648 ' HA2' ' HXT' ' A' ' 21' ' ' LEU . . . 89.23 65.79 1.26 Allowed Glycine 0 CA--C 1.562 3.011 1 CA-C-O 112.341 -4.588 . . . . 0.0 110.222 -167.608 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -75.88 136.26 43.89 Favored 'Cis proline' 0 C--N 1.392 2.849 1 CA-C-N 127.229 5.514 . . . . 0.0 113.358 6.58 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.3 -132.4 0.15 Allowed Glycine 0 CA--C 1.574 3.747 0 CA-C-O 113.71 -3.828 . . . . 0.0 114.387 -176.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.63 129.89 16.44 Favored 'Cis proline' 0 C--N 1.388 2.657 1 CA-C-N 125.828 4.814 . . . . 0.0 112.61 3.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -112.69 126.05 54.97 Favored 'General case' 0 N--CA 1.498 1.941 2 CA-C-N 127.595 4.725 . . . . 0.0 108.3 17.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' HXT' ' HA2' ' A' ' 16' ' ' GLY 0.289 4.4 mp . . . . . 0 N--CA 1.5 2.043 0 C-N-CA 126.625 1.97 . . . . 0.0 111.861 -179.108 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.5 2.027 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -100.79 118.21 36.43 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.56 -9.56 9.19 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 176.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.85 -48.57 75.27 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 124.411 1.084 . . . . 0.0 112.678 156.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -76.08 156.99 33.39 Favored 'General case' 0 CA--C 1.58 2.126 0 O-C-N 124.499 1.125 . . . . 0.0 113.94 154.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HA ' ' H ' ' A' ' 9' ' ' ALA . 39.1 p90 -84.64 146.28 27.56 Favored 'General case' 0 N--CA 1.494 1.764 2 O-C-N 115.051 -4.78 . . . . 0.0 112.844 -10.355 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 98.54 11.55 Favored 'General case' 0 N--CA 1.486 1.364 2 O-C-N 115.609 -4.432 . . . . 0.0 109.743 2.772 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' H ' ' HA ' ' A' ' 7' ' ' PHE . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-N 112.128 -2.306 . . . . 0.0 105.97 121.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 106.51 -2.636 . . . . 0.0 106.51 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -141.24 46.21 1.73 Allowed 'General case' 0 N--CA 1.513 2.687 0 CA-C-N 119.293 1.547 . . . . 0.0 112.111 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -153.39 -64.22 0.15 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.608 -163.533 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.44 70.08 1.34 Allowed Glycine 0 CA--C 1.558 2.773 1 CA-C-O 112.289 -4.617 . . . . 0.0 111.028 -176.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.42 146.63 69.14 Favored 'Cis proline' 0 C--N 1.388 2.632 1 CA-C-N 127.057 5.428 . . . . 0.0 114.231 -1.187 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.07 -150.96 12.19 Favored Glycine 0 CA--C 1.578 3.979 2 CA-C-N 128.611 5.187 . . . . 0.0 113.1 9.252 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -88.4 129.6 9.49 Favored 'Cis proline' 0 CA--C 1.581 2.829 1 CA-C-N 126.374 5.087 . . . . 0.0 113.135 -6.185 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -132.38 100.92 5.15 Favored 'General case' 0 N--CA 1.493 1.681 2 CA-C-N 128.817 5.281 . . . . 0.0 106.105 -0.222 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.333 8.4 mt . . . . . 0 N--CA 1.495 1.791 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.049 -171.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.503 2.203 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -124.86 154.49 40.96 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.225 1.012 . . . . 0.0 109.737 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.05 116.38 27.79 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 116.883 -1.532 . . . . 0.0 108.884 -140.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.01 151.46 51.73 Favored 'General case' 0 N--CA 1.5 2.054 2 CA-C-N 128.138 4.972 . . . . 0.0 108.2 -10.105 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.282 45.7 t 85.19 98.68 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 127.098 2.159 . . . . 0.0 105.887 -162.023 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.283 20.5 m-85 60.72 150.25 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 2 O-C-N 115.279 -4.638 . . . . 0.0 113.981 14.215 . . . . . . . . 3 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.03 95.88 Favored 'General case' 0 CA--C 1.575 1.933 1 O-C-N 115.726 -4.359 . . . . 0.0 114.422 3.612 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.975 2 CA-C-N 128.464 5.12 . . . . 0.0 117.249 -10.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 121.231 0.351 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.47 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 166.512 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -103.32 -39.9 6.62 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 116.184 -1.865 . . . . 0.0 115.508 -165.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -64.13 2.95 Favored Glycine 0 CA--C 1.565 3.191 1 CA-C-O 112.969 -4.24 . . . . 0.0 115.106 -163.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -69.41 143.7 73.93 Favored 'Cis proline' 0 C--N 1.389 2.672 1 CA-C-N 126.324 5.062 . . . . 0.0 113.9 8.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.404 ' HA2' HE21 ' A' ' 20' ' ' GLN . . . -114.37 -169.73 16.56 Favored Glycine 0 CA--C 1.575 3.783 0 CA-C-O 115.687 -2.729 . . . . 0.0 116.435 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.72 112.52 2.63 Favored 'Cis proline' 0 C--N 1.391 2.767 1 CA-C-N 124.525 4.162 . . . . 0.0 111.028 0.419 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.404 HE21 ' HA2' ' A' ' 18' ' ' GLY . 0.6 OUTLIER -151.73 -29.28 0.17 Allowed 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 115.654 -2.117 . . . . 0.0 115.125 177.242 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 11.3 mt . . . . . 0 N--CA 1.502 2.133 0 CA-C-N 122.273 2.306 . . . . 0.0 106.526 -162.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -162.84 124.34 2.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.375 1.07 . . . . 0.0 109.554 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.321 0.0 OUTLIER 35.21 43.14 0.11 Allowed 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 121.562 3.912 . . . . 0.0 121.562 154.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -82.59 -45.11 15.0 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 123.979 0.912 . . . . 0.0 112.348 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.328 15.8 mt 66.4 59.24 0.65 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 127.308 2.243 . . . . 0.0 114.141 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -155.11 81.71 1.07 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 147.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.02 179.01 7.91 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.167 0.987 . . . . 0.0 109.317 -167.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -50.95 21.66 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 115.2 -2.333 . . . . 0.0 110.43 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.287 . . -89.98 -157.48 0.47 Allowed 'General case' 0 CA--C 1.563 1.459 2 CA-C-N 129.054 5.388 . . . . 0.0 109.301 -15.227 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -126.02 -42.74 1.86 Allowed 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -145.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.43 -20.21 0.69 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 -158.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.06 -48.66 9.67 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.112 -159.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.38 -51.25 0.27 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -144.09 75.22 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.81 1.644 . . . . 0.0 106.749 -152.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -115.98 122.84 46.44 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -133.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.82 73.6 1.23 Allowed Glycine 0 CA--C 1.561 2.927 1 CA-C-O 112.831 -4.316 . . . . 0.0 112.401 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.14 123.0 7.61 Favored 'Cis proline' 0 C--N 1.393 2.908 1 CA-C-N 126.524 5.162 . . . . 0.0 111.546 5.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.93 82.87 0.35 Allowed Glycine 0 N--CA 1.477 1.403 0 CA-C-O 113.568 -3.907 . . . . 0.0 111.748 -164.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -61.16 138.75 79.81 Favored 'Trans proline' 0 CA--C 1.579 2.744 1 CA-C-N 124.488 4.144 . . . . 0.0 115.557 166.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.1 62.29 1.27 Allowed 'General case' 0 N--CA 1.503 2.19 2 CA-C-N 128.174 4.988 . . . . 0.0 111.607 -0.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.918 2.295 . . . . 0.0 106.002 141.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 119.596 -0.24 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -132.43 87.71 2.45 Favored 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 104.083 -2.562 . . . . 0.0 104.083 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.453 ' HE1' ' H ' ' A' ' 4' ' ' LYS . 7.8 tpt -149.71 138.18 20.73 Favored 'General case' 0 N--CA 1.498 1.926 2 O-C-N 114.56 -5.088 . . . . 0.0 107.085 -5.404 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' H ' ' HE1' ' A' ' 3' ' ' MET . 12.9 mmmm -88.39 90.74 8.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.485 1.114 . . . . 0.0 108.715 -176.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -145.15 -75.88 0.22 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.02 138.8 31.21 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 116.855 -1.545 . . . . 0.0 110.152 123.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.77 177.75 7.74 Favored 'General case' 0 CA--C 1.584 2.287 2 CA-C-N 128.632 5.196 . . . . 0.0 109.123 -6.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.429 HH21 HH11 ' A' ' 10' ' ' ARG . 6.7 ptt180 -23.17 -9.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.789 1 N-CA-C 124.24 4.904 . . . . 0.0 124.24 146.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.271 . . -82.02 -142.88 0.05 Allowed 'General case' 0 CA--C 1.568 1.641 0 O-C-N 118.388 -2.695 . . . . 0.0 114.657 -85.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 HH11 HH21 ' A' ' 8' ' ' ARG . 71.6 mtm180 -168.88 -39.67 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.278 0 C-N-CA 125.613 1.565 . . . . 0.0 108.54 -127.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.1 -15.76 0.68 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -130.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -135.51 -60.92 0.74 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.406 1.482 . . . . 0.0 109.51 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.1 118.92 3.57 Favored Glycine 0 C--N 1.362 2.012 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 166.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -88.39 63.01 6.9 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 122.433 1.111 . . . . 0.0 112.289 -147.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -151.66 -68.16 0.17 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 116.943 -1.503 . . . . 0.0 108.323 -160.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.98 79.5 0.85 Allowed Glycine 0 CA--C 1.56 2.858 1 CA-C-O 112.414 -4.548 . . . . 0.0 110.429 -175.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.06 157.31 97.51 Favored 'Cis proline' 0 C--N 1.385 2.457 1 CA-C-N 126.5 5.15 . . . . 0.0 114.336 13.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.82 -118.83 0.24 Allowed Glycine 0 CA--C 1.563 3.056 1 CA-C-O 112.269 -4.628 . . . . 0.0 113.208 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -64.9 148.4 72.18 Favored 'Cis proline' 0 C--N 1.39 2.753 1 CA-C-N 127.162 5.481 . . . . 0.0 117.208 13.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.11 -13.43 4.51 Favored 'General case' 0 N--CA 1.513 2.721 2 CA-C-N 127.166 4.53 . . . . 0.0 114.367 -7.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.364 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 126.888 2.075 . . . . 0.0 114.025 170.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p 49.2 113.41 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 126.816 2.046 . . . . 0.0 115.616 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.0 tpt 46.56 119.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 127.06 2.144 . . . . 0.0 115.241 171.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.347 11.1 mmpt? 68.63 89.51 0.1 Allowed 'General case' 0 CA--C 1.584 2.276 0 C-N-CA 126.89 2.076 . . . . 0.0 111.184 174.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -148.74 105.33 3.55 Favored 'General case' 0 N--CA 1.492 1.625 2 O-C-N 115.582 -4.449 . . . . 0.0 109.263 -4.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -156.57 57.13 0.56 Allowed 'General case' 0 CA--C 1.592 2.583 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 149.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.67 171.38 8.43 Favored 'General case' 0 N--CA 1.494 1.735 2 O-C-N 111.844 -6.785 . . . . 0.0 114.121 4.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -16.8 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.339 1 N-CA-C 122.279 4.177 . . . . 0.0 122.279 158.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 18.0 83.4 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -153.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.285 0.2 OUTLIER 46.35 -70.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 114.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.4 -73.65 0.66 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 114.479 -2.677 . . . . 0.0 112.111 -144.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.47 137.98 31.86 Favored 'General case' 0 N--CA 1.492 1.668 2 CA-C-N 132.217 6.826 . . . . 0.0 107.972 -6.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.4 116.37 0.67 Allowed Glycine 0 CA--C 1.546 2.018 0 CA-C-O 117.536 -1.702 . . . . 0.0 115.664 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -117.16 93.25 4.11 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 123.042 3.421 . . . . 0.0 106.544 -81.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.47 -26.8 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 C-N-CA 126.078 1.751 . . . . 0.0 115.17 -154.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' HXT' ' A' ' 21' ' ' LEU . . . 99.94 74.42 1.12 Allowed Glycine 0 CA--C 1.554 2.51 1 CA-C-O 112.724 -4.376 . . . . 0.0 106.149 -162.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -60.56 136.52 16.39 Favored 'Cis proline' 0 C--N 1.394 2.936 1 CA-C-N 126.261 5.031 . . . . 0.0 118.51 12.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.72 161.14 15.07 Favored Glycine 0 CA--C 1.569 3.443 0 CA-C-O 115.608 -2.773 . . . . 0.0 116.799 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -71.18 116.48 3.11 Favored 'Cis proline' 0 C--N 1.392 2.868 1 CA-C-N 125.088 4.444 . . . . 0.0 109.657 -9.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.316 0.0 OUTLIER 72.87 -41.46 0.5 Allowed 'General case' 0 N--CA 1.519 2.997 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HXT' ' HA2' ' A' ' 16' ' ' GLY . 3.6 pp . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 124.77 2.224 . . . . 0.0 111.477 174.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.256 22.7 t 66.33 89.21 0.1 Allowed 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 127.048 2.139 . . . . 0.0 110.935 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.4 mmm -147.36 144.3 28.63 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.809 -160.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -74.55 -64.46 1.03 Allowed 'General case' 0 N--CA 1.504 2.273 2 O-C-N 114.968 -4.833 . . . . 0.0 109.9 -9.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -135.6 -64.55 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.012 1.278 . . . . 0.0 108.301 152.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -102.65 121.7 42.94 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 165.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.305 82.9 t80 -102.93 -101.22 0.29 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -136.27 -59.93 0.73 Allowed 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 115.64 -2.124 . . . . 0.0 105.856 -170.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.94 147.44 42.25 Favored 'General case' 0 N--CA 1.491 1.578 2 CA-C-N 128.921 5.328 . . . . 0.0 109.477 -6.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.39 -26.87 0.81 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -148.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.35 110.13 4.5 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.349 34.6 p90 49.66 73.75 0.23 Allowed 'General case' 0 CA--C 1.583 2.247 0 C-N-CA 125.748 1.619 . . . . 0.0 113.176 -162.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.45 -136.03 7.7 Favored Glycine 0 N--CA 1.485 1.927 2 O-C-N 114.702 -4.999 . . . . 0.0 111.287 10.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -143.72 14.49 1.75 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 124.854 1.262 . . . . 0.0 112.363 -157.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -139.78 -59.91 0.55 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 116.57 -1.681 . . . . 0.0 108.93 -127.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.81 104.85 0.92 Allowed Glycine 0 CA--C 1.556 2.61 1 CA-C-O 112.669 -4.406 . . . . 0.0 112.59 164.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -82.22 85.76 0.03 OUTLIER 'Cis proline' 0 C--N 1.39 2.732 1 CA-C-N 126.798 5.299 . . . . 0.0 110.245 -3.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.66 49.51 Favored Glycine 1 CA--C 1.578 4.012 0 CA-C-O 115.364 -2.909 . . . . 0.0 115.309 -175.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.45 155.32 70.96 Favored 'Cis proline' 0 C--N 1.386 2.546 1 CA-C-N 124.805 4.302 . . . . 0.0 116.405 -3.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.269 0.0 OUTLIER -91.11 -32.35 15.89 Favored 'General case' 0 N--CA 1.51 2.553 2 O-C-N 115.828 -4.295 . . . . 0.0 113.711 -6.897 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 123.108 1.432 . . . . 0.0 112.375 -176.585 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 CA--C 1.558 1.271 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -155.67 134.89 12.25 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.116 1.366 . . . . 0.0 108.558 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.299 0.0 OUTLIER -63.21 169.69 3.38 Favored 'General case' 0 CA--C 1.576 1.973 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -173.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.278 10.6 mmpt? 65.97 42.14 3.44 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.721 1.608 . . . . 0.0 113.934 -161.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -151.17 -76.93 0.14 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 160.5 14.48 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.311 1.444 . . . . 0.0 109.2 158.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.31 26.48 Favored 'General case' 0 CA--C 1.584 2.272 0 C-N-CA 124.001 0.92 . . . . 0.0 112.063 -169.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -120.35 109.31 15.2 Favored 'General case' 0 C--N 1.366 1.312 2 O-C-N 113.538 -5.726 . . . . 0.0 110.014 12.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' HB3' ' H ' ' A' ' 12' ' ' TYR . . . -152.57 134.82 15.03 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 112.932 -1.94 . . . . 0.0 110.57 145.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.453 1.2 mmp_? 92.02 -69.06 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.634 3 O-C-N 113.115 -5.99 . . . . 0.0 112.157 1.391 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.87 -38.56 0.71 Allowed 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -162.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.426 ' H ' ' HB3' ' A' ' 9' ' ' ALA 0.304 1.3 m-30 88.74 88.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 127.909 2.484 . . . . 0.0 111.189 162.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.47 56.16 0.05 OUTLIER Glycine 0 N--CA 1.493 2.461 0 N-CA-C 117.41 1.724 . . . . 0.0 117.41 156.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.25 0.0 OUTLIER -166.01 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 124.696 1.198 . . . . 0.0 109.911 -167.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -154.04 132.67 12.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.433 1.493 . . . . 0.0 107.15 -161.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.78 -65.66 0.38 Allowed Glycine 0 CA--C 1.562 2.981 1 CA-C-O 112.616 -4.436 . . . . 0.0 110.848 -172.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.71 144.93 75.45 Favored 'Cis proline' 0 C--N 1.388 2.658 1 CA-C-N 127.065 5.433 . . . . 0.0 112.946 6.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.7 -160.97 21.08 Favored Glycine 1 CA--C 1.579 4.044 0 CA-C-O 115.159 -3.023 . . . . 0.0 114.534 169.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -79.54 112.85 2.74 Favored 'Cis proline' 0 C--N 1.39 2.731 1 CA-C-N 125.63 4.715 . . . . 0.0 111.669 1.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.348 2.7 pm0 165.29 -50.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 127.495 2.318 . . . . 0.0 107.558 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.499 2.003 0 C-N-CA 125.173 1.389 . . . . 0.0 112.882 -175.146 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m 57.17 93.94 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 126.713 2.005 . . . . 0.0 113.54 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.261 0.4 OUTLIER 59.23 127.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 127.224 2.21 . . . . 0.0 112.856 178.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -153.99 -56.13 0.11 Allowed 'General case' 0 CA--C 1.579 2.065 0 CA-C-O 114.655 -2.593 . . . . 0.0 109.06 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.92 -87.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.86 2 CA-C-N 131.2 6.364 . . . . 0.0 107.245 7.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 t 23.35 67.49 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.889 2.922 . . . . 0.0 118.889 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.273 55.6 t80 -123.61 -121.22 0.27 Allowed 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 105.172 -2.159 . . . . 0.0 105.172 -166.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 0.76 0.1 Allowed 'General case' 0 CA--C 1.576 1.975 0 C-N-CA 127.53 2.332 . . . . 0.0 112.325 -164.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.37 26.2 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 117.036 2.236 . . . . 0.0 117.036 -121.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -158.55 -57.98 0.07 Allowed 'General case' 0 CA--C 1.572 1.807 0 CA-C-N 113.254 -1.793 . . . . 0.0 108.559 -125.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.87 57.36 1.46 Allowed 'General case' 0 CA--C 1.568 1.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.366 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -153.18 -64.94 0.15 Allowed 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 117.206 -1.378 . . . . 0.0 110.951 -167.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.74 110.79 0.24 Allowed Glycine 0 C--N 1.36 1.881 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 -158.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.04 109.25 21.08 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -129.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -150.55 89.53 1.57 Allowed 'General case' 0 N--CA 1.503 2.199 2 O-C-N 115.004 -4.81 . . . . 0.0 108.529 18.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.09 87.53 0.08 OUTLIER Glycine 0 CA--C 1.566 3.263 1 CA-C-O 112.136 -4.702 . . . . 0.0 114.868 168.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.3 152.49 96.23 Favored 'Cis proline' 0 C--N 1.386 2.502 1 CA-C-N 127.066 5.433 . . . . 0.0 113.097 3.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.17 -92.23 1.14 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 113.342 -4.032 . . . . 0.0 110.136 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.71 158.81 87.27 Favored 'Cis proline' 0 CA--C 1.573 2.466 1 CA-C-N 125.413 4.606 . . . . 0.0 114.894 1.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.642 HE21 ' H ' ' A' ' 20' ' ' GLN 0.262 0.0 OUTLIER -76.58 -52.34 9.91 Favored 'General case' 0 N--CA 1.511 2.612 1 O-C-N 115.758 -4.339 . . . . 0.0 112.145 14.799 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 124.443 2.068 . . . . 0.0 110.301 -169.011 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.531 ' HG ' ' HA ' ' A' ' 3' ' ' MET . 32.7 t . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -138.42 68.82 1.38 Allowed 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 172.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.531 ' HA ' ' HG ' ' A' ' 1' ' ' SER . 11.7 ttp -150.67 140.17 21.51 Favored 'General case' 0 N--CA 1.497 1.901 2 O-C-N 113.584 -5.698 . . . . 0.0 107.466 -9.091 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 66.48 87.0 0.13 Allowed 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 126.823 2.049 . . . . 0.0 108.683 -173.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.78 134.22 40.49 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.926 0.491 . . . . 0.0 110.545 -152.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 63.91 88.34 0.1 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 126.486 1.915 . . . . 0.0 111.136 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.276 79.9 t80 -111.44 -88.64 0.52 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -162.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -58.5 0.1 Allowed 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.229 -2.319 . . . . 0.0 107.001 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.54 143.87 51.02 Favored 'General case' 0 C--N 1.374 1.658 2 CA-C-N 129.523 5.601 . . . . 0.0 111.052 3.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.65 -34.4 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -139.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.09 -34.29 43.7 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -170.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 -47.43 0.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.835 1.654 . . . . 0.0 110.381 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.32 114.54 3.09 Favored Glycine 0 C--N 1.358 1.8 0 N-CA-C 106.886 -2.486 . . . . 0.0 106.886 168.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -83.52 47.41 1.27 Allowed 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -161.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -141.34 -62.6 0.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.557 -1.687 . . . . 0.0 110.843 -138.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.78 73.29 1.08 Allowed Glycine 0 CA--C 1.562 2.993 1 CA-C-O 112.539 -4.479 . . . . 0.0 112.651 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -69.93 156.82 93.06 Favored 'Cis proline' 0 C--N 1.389 2.671 1 CA-C-N 126.979 5.389 . . . . 0.0 114.16 2.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' H ' HD23 ' A' ' 21' ' ' LEU . . . -65.51 -111.34 0.01 OUTLIER Glycine 0 CA--C 1.565 3.205 1 CA-C-O 112.033 -4.76 . . . . 0.0 114.387 -177.307 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -75.86 153.85 98.1 Favored 'Cis proline' 0 CA--C 1.578 2.703 1 CA-C-N 127.526 5.663 . . . . 0.0 116.332 8.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.85 62.55 0.67 Allowed 'General case' 0 N--CA 1.511 2.603 2 CA-C-N 127.871 4.85 . . . . 0.0 108.531 -6.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 18' ' ' GLY 0.28 19.9 mt . . . . . 0 N--CA 1.499 1.99 0 C-N-CA 126.502 1.921 . . . . 0.0 112.55 -164.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 56.52 114.58 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 126.774 2.03 . . . . 0.0 113.927 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.541 ' H ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mmm -143.44 132.96 23.54 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.862 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 22.66 14.07 Favored 'General case' 0 CA--C 1.597 2.781 2 O-C-N 114.35 -5.219 . . . . 0.0 115.129 12.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.48 160.88 14.56 Favored 'General case' 0 N--CA 1.489 1.487 2 O-C-N 110.329 -7.732 . . . . 0.0 108.849 5.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p 74.95 116.88 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 127.14 2.176 . . . . 0.0 111.07 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -130.18 -81.77 0.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.351 1.032 . . . . 0.0 108.39 -165.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 31.2 ptt180 147.47 -57.95 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 C-N-CA 126.098 1.759 . . . . 0.0 106.697 -132.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 47.63 101.83 0.01 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.162 2.985 . . . . 0.0 116.499 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.96 -30.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 111.842 -2.435 . . . . 0.0 113.733 -148.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.43 -17.37 18.82 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.685 2.106 . . . . 0.0 116.685 167.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -114.31 -49.34 2.84 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.773 1.629 . . . . 0.0 112.231 -169.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.73 116.98 0.75 Allowed Glycine 0 C--N 1.361 1.953 0 N-CA-C 106.314 -2.715 . . . . 0.0 106.314 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.74 71.26 4.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.513 1.149 . . . . 0.0 110.453 -139.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -145.31 -70.54 0.27 Allowed 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.059 -141.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.94 93.15 0.06 OUTLIER Glycine 0 CA--C 1.565 3.158 1 CA-C-O 112.263 -4.632 . . . . 0.0 113.648 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.54 78.6 0.09 OUTLIER 'Cis proline' 0 C--N 1.389 2.693 1 CA-C-N 126.965 5.383 . . . . 0.0 113.637 5.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.5 -148.72 50.5 Favored Glycine 0 CA--C 1.573 3.699 0 CA-C-O 114.48 -3.4 . . . . 0.0 118.083 165.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.28 150.35 79.49 Favored 'Cis proline' 0 C--N 1.391 2.765 1 CA-C-N 124.708 4.254 . . . . 0.0 114.892 3.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.49 3.49 2.8 Favored 'General case' 0 N--CA 1.516 2.837 2 O-C-N 115.316 -4.615 . . . . 0.0 115.347 5.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 ' HG ' ' H ' ' A' ' 3' ' ' MET 0.377 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.452 0 C-N-CA 125.911 1.685 . . . . 0.0 114.947 165.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -129.19 -53.18 1.19 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 117.588 -1.196 . . . . 0.0 113.157 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -12.38 152.83 0.0 OUTLIER 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 121.569 3.915 . . . . 0.0 121.569 166.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -85.39 96.27 9.51 Favored 'General case' 0 N--CA 1.496 1.87 2 CA-C-N 128.032 4.924 . . . . 0.0 106.825 -11.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 tp -125.96 -76.52 0.58 Allowed 'General case' 0 CA--C 1.561 1.366 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -136.46 119.65 16.65 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 161.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.428 ' HA ' ' H ' ' A' ' 9' ' ' ALA . 10.0 p90 -106.13 154.15 21.07 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.97 29.11 0.21 Allowed 'General case' 0 N--CA 1.511 2.582 1 O-C-N 115.626 -4.421 . . . . 0.0 113.194 -8.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' H ' ' HA ' ' A' ' 7' ' ' PHE . . . -66.01 95.77 0.29 Allowed 'General case' 0 CA--C 1.575 1.927 0 O-C-N 116.918 -3.614 . . . . 0.0 116.249 -91.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.17 106.74 4.08 Favored 'General case' 0 N--CA 1.488 1.433 1 O-C-N 116.053 -4.154 . . . . 0.0 107.005 -12.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.252 . . 61.5 94.11 0.04 OUTLIER 'General case' 0 CA--C 1.577 2.016 0 C-N-CA 127.326 2.251 . . . . 0.0 114.891 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.77 88.92 5.12 Favored 'General case' 0 N--CA 1.494 1.762 1 O-C-N 114.743 -4.973 . . . . 0.0 106.127 -38.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.58 -171.76 14.01 Favored Glycine 0 CA--C 1.568 3.396 0 CA-C-O 118.571 -1.127 . . . . 0.0 115.673 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.4 71.08 1.26 Allowed 'General case' 0 N--CA 1.509 2.492 2 CA-C-N 126.529 5.164 . . . . 0.0 109.702 11.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -149.47 -46.92 0.14 Allowed 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.931 -150.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.38 97.53 Favored Glycine 0 CA--C 1.573 3.714 1 CA-C-O 111.626 -4.986 . . . . 0.0 118.794 -169.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.89 145.79 85.0 Favored 'Cis proline' 0 C--N 1.392 2.842 1 CA-C-N 128.558 6.179 . . . . 0.0 113.369 13.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.82 165.62 12.06 Favored Glycine 0 CA--C 1.575 3.801 0 CA-C-O 115.743 -2.698 . . . . 0.0 116.279 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.63 128.75 16.35 Favored 'Cis proline' 0 C--N 1.393 2.881 1 CA-C-N 124.209 4.005 . . . . 0.0 111.036 6.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 0.0 OUTLIER -131.93 -46.28 0.94 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 125.134 1.521 . . . . 0.0 111.161 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 125.014 2.34 . . . . 0.0 111.044 173.439 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t 49.63 99.15 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 126.752 2.021 . . . . 0.0 115.452 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.0 mmm -140.36 123.02 16.28 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.426 -1.273 . . . . 0.0 108.026 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -76.22 -59.01 2.95 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 114.447 -5.158 . . . . 0.0 110.869 -4.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -146.28 -55.51 0.27 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 121.594 1.997 . . . . 0.0 112.527 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -89.38 -61.68 1.65 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.94 -161.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.312 55.8 t80 -124.49 -89.95 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 2 CA-C-N 130.692 6.133 . . . . 0.0 106.608 -2.058 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -147.2 -62.59 0.28 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -167.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.08 164.51 17.6 Favored 'General case' 0 N--CA 1.492 1.636 2 CA-C-N 129.218 5.463 . . . . 0.0 110.452 -6.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -132.59 -36.1 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.885 -150.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.71 -4.05 13.46 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -163.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -152.02 -56.0 0.14 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.448 2.299 . . . . 0.0 109.776 -164.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.08 112.3 2.27 Favored Glycine 0 C--N 1.361 1.922 0 N-CA-C 105.436 -3.066 . . . . 0.0 105.436 167.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -85.79 52.09 2.38 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-O 123.384 1.564 . . . . 0.0 113.078 -162.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER 176.23 -49.9 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 124.869 1.268 . . . . 0.0 110.857 -140.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.93 -146.89 17.57 Favored Glycine 0 CA--C 1.56 2.876 0 CA-C-O 114.782 -3.232 . . . . 0.0 110.358 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -72.34 107.04 2.18 Favored 'Trans proline' 0 C--N 1.39 2.737 1 CA-C-N 127.044 5.422 . . . . 0.0 113.286 -161.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.67 -143.85 6.32 Favored Glycine 0 CA--C 1.574 3.755 2 CA-C-N 128.613 5.188 . . . . 0.0 111.656 4.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -69.87 151.83 92.06 Favored 'Cis proline' 0 C--N 1.386 2.533 1 CA-C-N 125.382 4.591 . . . . 0.0 114.931 -5.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.427 HE21 ' H ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -92.19 -37.81 12.49 Favored 'General case' 0 N--CA 1.524 3.249 2 O-C-N 115.514 -4.492 . . . . 0.0 112.962 -10.303 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 124.926 2.298 . . . . 0.0 110.155 -169.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m 57.57 135.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 127.428 2.291 . . . . 0.0 113.791 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.355 1.5 tpt -80.79 -68.15 0.71 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 117.515 -1.231 . . . . 0.0 111.147 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.7 -9.63 21.32 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 169.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.307 11.6 mt 66.09 67.21 0.47 Allowed 'General case' 0 N--CA 1.509 2.5 0 C-N-CA 127.473 2.309 . . . . 0.0 112.409 -169.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -159.98 -172.89 3.81 Favored 'General case' 0 CA--C 1.601 2.921 0 CA-C-N 112.159 -2.291 . . . . 0.0 107.499 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.06 -67.5 0.84 Allowed 'General case' 0 N--CA 1.493 1.711 2 O-C-N 110.847 -7.408 . . . . 0.0 109.453 -9.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -65.36 0.09 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 101.978 -3.342 . . . . 0.0 101.978 -153.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.08 169.26 13.58 Favored 'General case' 0 C--N 1.376 1.753 2 CA-C-N 129.437 5.562 . . . . 0.0 113.018 2.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 -31.76 0.16 Allowed 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 125.412 1.485 . . . . 0.0 114.608 -142.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.17 117.8 13.93 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.338 20.0 p90 47.39 80.27 0.05 Allowed 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 126.007 1.723 . . . . 0.0 113.268 -164.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.14 -131.44 6.08 Favored Glycine 0 N--CA 1.483 1.806 2 O-C-N 114.784 -4.947 . . . . 0.0 108.57 -3.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -140.24 43.93 1.89 Allowed 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.645 0.778 . . . . 0.0 110.79 -165.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER -143.72 -74.22 0.26 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 116.537 -1.697 . . . . 0.0 108.945 -155.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' H ' HE22 ' A' ' 20' ' ' GLN . . . 75.4 109.09 0.1 Allowed Glycine 0 CA--C 1.565 3.186 1 CA-C-O 111.523 -5.043 . . . . 0.0 112.467 -178.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -88.0 157.87 43.58 Favored 'Cis proline' 0 C--N 1.388 2.607 1 CA-C-N 128.12 5.96 . . . . 0.0 114.065 2.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.99 -166.59 34.7 Favored Glycine 0 CA--C 1.576 3.845 0 CA-C-O 115.276 -2.958 . . . . 0.0 114.37 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -108.3 16.19 0.1 Allowed 'Trans proline' 0 CA--C 1.601 3.874 1 CA-C-N 125.253 4.526 . . . . 0.0 121.98 159.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.509 HE22 ' H ' ' A' ' 16' ' ' GLY 0.468 0.9 OUTLIER 64.63 -55.75 0.27 Allowed 'General case' 0 N--CA 1.496 1.834 2 CA-C-N 133.954 7.615 . . . . 0.0 115.217 19.131 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 5.5 mp . . . . . 0 N--CA 1.497 1.896 0 C-N-CA 128.296 2.638 . . . . 0.0 113.789 171.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.518 ' H ' HE22 ' A' ' 20' ' ' GLN . 15.2 t 61.51 134.42 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 126.495 1.918 . . . . 0.0 113.197 177.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 4' ' ' LYS . 4.9 ptm -65.49 153.41 41.48 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 117.101 2.259 . . . . 0.0 117.101 -170.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 3' ' ' MET . 0.0 OUTLIER -103.58 100.3 10.14 Favored 'General case' 0 N--CA 1.493 1.709 2 CA-C-N 127.679 4.763 . . . . 0.0 104.964 -18.233 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -139.86 -72.13 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -94.1 123.22 37.34 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 116.379 -1.772 . . . . 0.0 107.69 150.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -142.8 -85.02 0.16 Allowed 'General case' 0 N--CA 1.496 1.859 2 CA-C-N 128.549 5.159 . . . . 0.0 110.42 -0.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 13.77 0.95 Allowed 'General case' 0 CA--C 1.591 2.549 0 C-N-CA 126.855 2.062 . . . . 0.0 113.508 -166.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.265 . . -81.28 179.55 7.8 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 117.371 -3.331 . . . . 0.0 116.058 -83.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -172.69 -49.33 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.922 0 CA-C-N 114.332 -1.303 . . . . 0.0 109.654 -105.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.91 108.57 3.66 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.312 23.3 p90 47.93 93.22 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.291 0 C-N-CA 125.972 1.709 . . . . 0.0 114.697 -165.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.49 155.39 26.98 Favored Glycine 0 N--CA 1.489 2.205 2 O-C-N 114.454 -5.154 . . . . 0.0 109.749 -12.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.59 52.19 2.4 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.944 1.354 . . . . 0.0 112.08 -165.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.348 0.0 OUTLIER 177.71 -64.9 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 116.417 -1.754 . . . . 0.0 108.447 -146.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.82 96.82 0.84 Allowed Glycine 0 CA--C 1.556 2.619 1 CA-C-O 111.936 -4.813 . . . . 0.0 113.22 171.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.39 150.59 37.51 Favored 'Cis proline' 0 CA--C 1.58 2.822 1 CA-C-N 127.656 5.728 . . . . 0.0 113.783 -7.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.61 -153.16 24.55 Favored Glycine 1 CA--C 1.579 4.079 2 CA-C-N 129.728 5.695 . . . . 0.0 112.559 1.227 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.48 135.49 15.85 Favored 'Cis proline' 0 C--N 1.392 2.83 1 CA-C-N 125.028 4.414 . . . . 0.0 114.307 -1.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.518 HE22 ' H ' ' A' ' 2' ' ' SER 0.265 1.1 pp0? -160.55 -15.86 0.05 Allowed 'General case' 0 N--CA 1.524 3.26 1 CA-C-N 126.632 4.287 . . . . 0.0 115.814 2.706 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 122.976 1.37 . . . . 0.0 113.701 -176.817 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 51.99 114.41 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.04 2.136 . . . . 0.0 114.846 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.456 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 58.2 mmm -124.48 134.27 53.09 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.34 -174.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 3' ' ' MET . 0.7 OUTLIER -119.78 57.67 0.91 Allowed 'General case' 0 CA--C 1.592 2.585 2 O-C-N 114.245 -5.285 . . . . 0.0 110.225 16.071 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.59 -34.97 67.78 Favored 'General case' 0 N--CA 1.506 2.374 2 O-C-N 111.012 -7.305 . . . . 0.0 113.759 -11.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -74.76 115.12 13.98 Favored 'General case' 0 CA--C 1.578 2.02 0 CA-C-O 116.803 -1.57 . . . . 0.0 109.859 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.38 -68.99 0.46 Allowed 'General case' 0 N--CA 1.493 1.721 2 CA-C-N 128.56 5.164 . . . . 0.0 111.665 7.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -127.26 -145.03 0.31 Allowed 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 -150.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.29 101.05 0.95 Allowed 'General case' 0 CA--C 1.568 1.635 0 O-C-N 116.778 -3.701 . . . . 0.0 106.265 98.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.92 94.9 2.95 Favored 'General case' 0 C--N 1.364 1.214 2 O-C-N 114.639 -5.038 . . . . 0.0 107.549 -8.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.284 . . 63.6 100.29 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.807 2.443 . . . . 0.0 114.76 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -90.94 133.52 35.2 Favored 'General case' 0 N--CA 1.499 1.998 2 O-C-N 115.136 -4.727 . . . . 0.0 106.992 -33.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.83 127.76 8.69 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.643 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -89.37 41.99 1.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 123.437 1.589 . . . . 0.0 110.946 168.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -164.39 -51.98 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 117.325 -1.321 . . . . 0.0 108.91 -125.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.09 -45.93 56.55 Favored Glycine 0 CA--C 1.574 3.771 1 CA-C-O 112.057 -4.746 . . . . 0.0 118.475 -177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -69.24 147.6 83.87 Favored 'Cis proline' 0 C--N 1.393 2.871 1 CA-C-N 128.194 5.997 . . . . 0.0 114.163 8.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.09 -152.45 5.93 Favored Glycine 0 CA--C 1.573 3.695 0 CA-C-O 115.077 -3.068 . . . . 0.0 115.128 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.66 111.4 1.42 Allowed 'Cis proline' 0 C--N 1.393 2.902 1 CA-C-N 124.875 4.338 . . . . 0.0 111.232 6.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -44.9 3.36 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.82 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.492 1.646 0 CA-C-N 120.074 1.306 . . . . 0.0 109.795 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -138.31 151.02 47.19 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.178 0.991 . . . . 0.0 112.677 174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.332 0.0 OUTLIER -126.35 -58.93 1.33 Allowed 'General case' 0 N--CA 1.508 2.437 2 O-C-N 113.644 -5.66 . . . . 0.0 112.796 12.654 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 108.01 20.17 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 172.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.84 136.93 38.15 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.026 0.53 . . . . 0.0 111.194 -146.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t 62.0 96.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 126.918 2.087 . . . . 0.0 111.013 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.351 86.6 t80 -111.09 -112.07 0.33 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 116.357 -1.783 . . . . 0.0 108.427 -154.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -137.94 -62.17 0.6 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 115.604 -2.141 . . . . 0.0 106.185 -160.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.21 142.81 50.75 Favored 'General case' 0 N--CA 1.489 1.496 2 CA-C-N 129.1 5.409 . . . . 0.0 111.649 0.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.63 -38.51 0.08 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.37 -140.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.72 145.66 51.11 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.457 1.903 . . . . 0.0 107.21 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.4 45.3 p90 61.02 -58.03 0.09 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.33 104.01 1.85 Allowed Glycine 0 C--N 1.353 1.502 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 163.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.15 21.09 0.94 Allowed 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -166.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -146.87 -63.99 0.29 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 116.542 -1.694 . . . . 0.0 109.437 -134.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.03 81.61 0.77 Allowed Glycine 0 CA--C 1.565 3.178 1 CA-C-O 111.989 -4.784 . . . . 0.0 111.248 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -91.78 109.14 0.87 Allowed 'Cis proline' 0 C--N 1.389 2.681 1 CA-C-N 127.479 5.639 . . . . 0.0 113.865 7.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.52 30.61 Favored Glycine 0 CA--C 1.57 3.525 0 CA-C-O 115.211 -2.994 . . . . 0.0 119.086 150.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.93 117.86 5.03 Favored 'Cis proline' 0 CA--C 1.58 2.799 0 CA-C-N 124.175 3.988 . . . . 0.0 112.859 8.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.472 ' C ' ' HXT' ' A' ' 21' ' ' LEU . 5.3 mm-40 -114.81 145.86 41.67 Favored 'General case' 0 N--CA 1.5 2.035 2 CA-C-N 128.613 5.188 . . . . 0.0 109.618 -4.143 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HXT' ' C ' ' A' ' 20' ' ' GLN 0.266 13.7 mt . . . . . 0 N--CA 1.508 2.469 0 C-N-CA 126.648 1.979 . . . . 0.0 113.585 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m 53.35 81.87 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 126.62 1.968 . . . . 0.0 113.989 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.466 ' HE3' ' H ' ' A' ' 4' ' ' LYS . 5.9 tpt -87.86 138.96 31.0 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.459 0.704 . . . . 0.0 110.149 -169.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' H ' ' HE3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -111.83 101.93 10.23 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 -163.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 mt -145.15 -92.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 102.007 -3.331 . . . . 0.0 102.007 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -175.03 115.46 0.16 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 121.152 1.796 . . . . 0.0 107.308 147.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -140.68 -57.85 0.52 Allowed 'General case' 0 N--CA 1.502 2.139 2 O-C-N 114.82 -4.925 . . . . 0.0 109.65 -17.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -7.81 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 121.742 3.979 . . . . 0.0 121.742 98.386 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.87 -41.77 20.51 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.231 -2.319 . . . . 0.0 117.01 -149.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -148.02 -146.75 0.2 Allowed 'General case' 0 N--CA 1.499 2.005 2 CA-C-N 129.659 5.663 . . . . 0.0 111.784 4.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.28 . . 75.56 -33.06 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -66.37 -42.89 87.33 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 145.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -174.81 42.95 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 122.677 1.154 . . . . 0.0 111.179 154.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -144.21 -8.55 0.69 Allowed 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 113.56 -1.32 . . . . 0.0 114.337 -169.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 -49.37 0.28 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.077 1.351 . . . . 0.0 111.252 -168.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 73.4 1.27 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 112.322 -4.599 . . . . 0.0 108.944 -174.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.89 153.38 97.43 Favored 'Cis proline' 0 C--N 1.388 2.633 1 CA-C-N 126.667 5.233 . . . . 0.0 114.031 12.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.65 -94.38 0.56 Allowed Glycine 0 CA--C 1.557 2.672 1 CA-C-O 112.892 -4.282 . . . . 0.0 113.76 -165.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.89 139.98 62.53 Favored 'Cis proline' 0 CA--C 1.579 2.749 1 CA-C-N 126.021 4.91 . . . . 0.0 114.179 10.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -113.44 85.74 2.25 Favored 'General case' 0 N--CA 1.503 2.177 2 CA-C-N 128.255 5.025 . . . . 0.0 108.887 0.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.312 14.5 mt . . . . . 0 N--CA 1.501 2.088 0 C-N-CA 126.628 1.971 . . . . 0.0 111.764 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.558 1.259 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.482 ' H ' HD11 ' A' ' 5' ' ' LEU . 39.1 t -135.8 66.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 119.981 1.264 . . . . 0.0 111.621 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.322 13.0 ptm 59.5 139.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.378 1.871 . . . . 0.0 114.623 171.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? 51.03 64.96 1.62 Allowed 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 125.979 1.712 . . . . 0.0 114.03 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 ' H ' ' A' ' 2' ' ' SER . 18.4 mt -146.35 -68.55 0.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 117.812 -1.09 . . . . 0.0 108.68 -174.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -108.86 -51.41 2.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.876 1.27 . . . . 0.0 112.749 174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.325 0.1 OUTLIER 65.09 147.44 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.745 1.618 . . . . 0.0 114.741 166.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -69.93 -51.77 30.05 Favored 'General case' 0 N--CA 1.5 2.027 2 O-C-N 115.727 -4.358 . . . . 0.0 111.461 13.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.63 38.88 1.06 Allowed 'General case' 0 N--CA 1.496 1.847 2 CA-C-N 128.622 5.192 . . . . 0.0 113.942 -19.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.97 162.54 26.55 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 119.662 -1.898 . . . . 0.0 112.638 -114.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.273 . . -177.14 92.37 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 109.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -146.03 92.28 2.18 Favored 'General case' 0 N--CA 1.498 1.959 2 O-C-N 114.012 -5.43 . . . . 0.0 104.869 -7.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.72 -29.8 0.07 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 122.481 3.752 . . . . 0.0 122.481 -168.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -16.69 5.1 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -145.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -130.61 -47.36 1.06 Allowed 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.97 -144.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.57 89.5 Favored Glycine 0 CA--C 1.571 3.589 1 CA-C-O 111.412 -5.105 . . . . 0.0 118.143 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.14 147.08 82.18 Favored 'Cis proline' 0 C--N 1.391 2.795 1 CA-C-N 128.64 6.22 . . . . 0.0 114.03 16.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA2' HE21 ' A' ' 20' ' ' GLN . . . -105.46 -179.29 23.91 Favored Glycine 1 CA--C 1.579 4.061 0 CA-C-O 115.563 -2.799 . . . . 0.0 115.582 172.537 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -77.59 134.06 33.11 Favored 'Cis proline' 0 C--N 1.394 2.956 1 CA-C-N 125.415 4.608 . . . . 0.0 111.703 4.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.468 HE21 ' HA2' ' A' ' 18' ' ' GLY 0.359 0.1 OUTLIER 150.38 -56.22 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 127.006 2.122 . . . . 0.0 107.384 -168.231 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 125.146 2.403 . . . . 0.0 106.04 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -161.38 79.87 0.59 Allowed 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.692 1.197 . . . . 0.0 109.135 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.25 17.2 ttp 51.31 152.81 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 127.141 2.176 . . . . 0.0 115.314 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? 54.67 78.8 0.16 Allowed 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 126.339 1.856 . . . . 0.0 112.679 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.38 -107.37 0.1 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -152.78 84.17 1.23 Allowed 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 103.703 -2.703 . . . . 0.0 103.703 148.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.358 53.3 t80 71.66 143.06 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 2 O-C-N 114.231 -5.293 . . . . 0.0 110.916 11.008 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.95 -59.51 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 CA-C-N 110.792 -2.913 . . . . 0.0 104.844 -142.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.374 . . 55.23 65.76 1.4 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 127.54 2.336 . . . . 0.0 116.269 -172.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.342 0.1 OUTLIER 58.09 -123.4 1.47 Allowed 'General case' 0 N--CA 1.516 2.863 0 O-C-N 118.827 -2.42 . . . . 0.0 111.055 83.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.368 . . 138.55 97.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 106.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -141.73 130.14 22.46 Favored 'General case' 0 N--CA 1.496 1.828 2 O-C-N 114.394 -5.191 . . . . 0.0 109.183 -5.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.78 40.31 0.57 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 118.535 2.174 . . . . 0.0 118.535 172.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.98 -48.03 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 119.005 1.403 . . . . 0.0 111.374 -165.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -116.66 -52.02 2.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.808 -1.568 . . . . 0.0 112.882 -153.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.25 -38.6 41.02 Favored Glycine 1 CA--C 1.579 4.039 1 CA-C-O 111.065 -5.297 . . . . 0.0 118.88 -178.702 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.15 152.57 18.86 Favored 'Cis proline' 0 C--N 1.393 2.903 1 CA-C-N 129.971 6.885 . . . . 0.0 114.764 -2.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.78 152.0 7.77 Favored Glycine 0 CA--C 1.568 3.345 0 CA-C-O 114.41 -3.439 . . . . 0.0 116.812 160.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -78.41 92.03 1.16 Allowed 'Trans proline' 0 C--N 1.398 3.159 1 CA-C-N 125.952 4.876 . . . . 0.0 110.891 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.357 3.5 pp0? 156.46 -53.08 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 126.658 1.983 . . . . 0.0 107.375 -152.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.367 1.356 0 CA-C-O 124.167 1.937 . . . . 0.0 106.098 169.673 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -156.83 81.72 0.94 Allowed 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.62 1.168 . . . . 0.0 108.395 170.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.291 11.6 ttt 52.04 141.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.03 2.132 . . . . 0.0 115.621 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.267 65.5 mmtt 47.98 66.68 0.98 Allowed 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 126.721 2.008 . . . . 0.0 115.082 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.6 -65.34 0.29 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.618 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.461 ' H ' HD21 ' A' ' 21' ' ' LEU . 42.3 t -105.47 -52.85 2.75 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 116.423 -1.751 . . . . 0.0 113.271 176.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.25 0.5 OUTLIER 62.94 158.12 0.07 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 121.979 2.172 . . . . 0.0 113.808 167.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -96.45 111.17 23.37 Favored 'General case' 0 N--CA 1.478 0.945 2 O-C-N 114.039 -5.413 . . . . 0.0 109.464 11.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.82 120.71 12.76 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.088 137.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -90.09 -16.06 30.42 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 111.796 -2.456 . . . . 0.0 113.401 169.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.02 -42.37 2.94 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 114.332 -2.747 . . . . 0.0 115.82 -124.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.39 140.07 37.32 Favored 'General case' 0 N--CA 1.494 1.749 2 CA-C-N 131.951 6.705 . . . . 0.0 110.822 11.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.89 56.08 0.76 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 117.417 1.727 . . . . 0.0 117.417 168.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -152.16 -19.41 0.18 Allowed 'General case' 0 N--CA 1.511 2.597 0 C-N-CA 124.707 1.203 . . . . 0.0 114.067 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -149.28 -46.03 0.14 Allowed 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 125.354 1.462 . . . . 0.0 112.879 -140.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.564 ' HA3' ' HXT' ' A' ' 21' ' ' LEU . . . -58.27 -56.23 26.37 Favored Glycine 0 CA--C 1.571 3.567 1 CA-C-O 112.34 -4.589 . . . . 0.0 115.583 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.3 146.17 76.6 Favored 'Cis proline' 0 C--N 1.387 2.573 1 CA-C-N 127.075 5.437 . . . . 0.0 112.772 -0.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.26 126.05 0.83 Allowed Glycine 0 CA--C 1.554 2.495 1 CA-C-O 113.006 -4.219 . . . . 0.0 114.436 172.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.76 76.84 3.18 Favored 'Trans proline' 0 C--N 1.391 2.795 1 CA-C-N 126.15 4.975 . . . . 0.0 113.323 168.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.339 3.0 pm0 163.19 -49.28 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 127.949 2.499 . . . . 0.0 107.769 -167.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.564 ' HXT' ' HA3' ' A' ' 16' ' ' GLY . 3.4 pp . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 124.601 2.143 . . . . 0.0 110.962 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.556 1.201 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -139.83 80.9 1.79 Allowed 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 120.285 1.402 . . . . 0.0 109.749 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.318 0.2 OUTLIER 52.56 121.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 127.594 2.358 . . . . 0.0 115.201 172.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.268 47.8 mmtt 41.1 68.49 0.43 Allowed 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 126.933 2.093 . . . . 0.0 115.842 -173.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -144.78 -74.79 0.24 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -149.17 113.39 5.21 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 163.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.526 ' HA ' ' H ' ' A' ' 9' ' ' ALA 0.27 6.9 t80 67.48 100.36 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 2 O-C-N 114.038 -5.414 . . . . 0.0 109.696 6.008 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.25 85.27 7.24 Favored 'General case' 0 N--CA 1.487 1.408 2 O-C-N 114.611 -5.056 . . . . 0.0 113.235 10.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.526 ' H ' ' HA ' ' A' ' 7' ' ' PHE . . . -103.29 131.54 50.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.062 107.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.456 HH21 HH22 ' A' ' 15' ' ' ARG . 0.0 OUTLIER -155.4 -16.66 0.11 Allowed 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 125.746 1.618 . . . . 0.0 114.955 -177.524 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.93 118.97 33.59 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 154.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -87.53 115.18 24.78 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.775 -146.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.45 58.8 0.89 Allowed Glycine 0 N--CA 1.488 2.149 0 N-CA-C 117.091 1.597 . . . . 0.0 117.091 155.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.6 -67.29 0.12 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -176.067 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.456 HH22 HH21 ' A' ' 10' ' ' ARG . 0.0 OUTLIER -97.33 145.58 25.98 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.142 1.377 . . . . 0.0 109.383 162.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.41 -74.92 0.2 Allowed Glycine 0 CA--C 1.553 2.419 1 CA-C-O 113.026 -4.208 . . . . 0.0 108.361 175.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -72.63 146.36 86.39 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 126.136 4.968 . . . . 0.0 113.287 0.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.21 -149.86 5.1 Favored Glycine 0 CA--C 1.571 3.55 0 CA-C-O 114.533 -3.371 . . . . 0.0 115.329 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -78.4 134.45 33.5 Favored 'Cis proline' 0 C--N 1.39 2.739 1 CA-C-N 125.581 4.691 . . . . 0.0 112.595 5.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -164.26 -37.95 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.958 1.703 . . . . 0.0 111.863 166.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 122.881 1.324 . . . . 0.0 109.21 -165.452 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -152.22 144.47 23.95 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.898 1.279 . . . . 0.0 109.796 -176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -77.24 148.5 35.76 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.349 1.06 . . . . 0.0 113.258 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.36 64.3 mmtt 52.59 77.19 0.16 Allowed 'General case' 0 CA--C 1.581 2.173 0 C-N-CA 127.49 2.316 . . . . 0.0 114.767 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.15 138.77 42.25 Favored 'General case' 0 N--CA 1.494 1.746 1 O-C-N 115.218 -4.676 . . . . 0.0 110.625 -9.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -133.12 134.82 44.72 Favored 'General case' 0 N--CA 1.494 1.767 2 CA-C-N 129.176 5.444 . . . . 0.0 107.765 -8.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.8 -55.13 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 1 O-C-N 114.961 -4.837 . . . . 0.0 114.403 55.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.342 0.0 OUTLIER 151.72 -50.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 127.864 2.466 . . . . 0.0 105.763 -137.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB1' ' H ' ' A' ' 13' ' ' GLY . . . 59.69 113.02 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 C-N-CA 128.688 2.795 . . . . 0.0 113.437 -160.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.55 -33.96 0.42 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.477 -2.147 . . . . 0.0 113.514 -160.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.263 . . -118.58 -78.15 0.58 Allowed 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 164.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 157.19 29.71 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 149.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.441 ' H ' ' HB1' ' A' ' 9' ' ' ALA . . . -110.73 52.35 0.64 Allowed Glycine 0 N--CA 1.497 2.745 2 O-C-N 114.328 -5.233 . . . . 0.0 115.099 -5.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 13.2 m-85 55.1 42.19 31.01 Favored 'General case' 0 CA--C 1.59 2.513 0 C-N-CA 126.884 2.073 . . . . 0.0 114.879 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -152.19 115.8 4.81 Favored 'General case' 0 N--CA 1.497 1.875 2 O-C-N 112.223 -6.548 . . . . 0.0 106.879 -8.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.24 80.46 0.88 Allowed Glycine 0 CA--C 1.559 2.842 1 CA-C-O 112.61 -4.439 . . . . 0.0 113.454 147.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -60.57 147.99 46.21 Favored 'Cis proline' 0 C--N 1.392 2.865 1 CA-C-N 126.459 5.129 . . . . 0.0 114.864 4.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.89 0.17 Allowed Glycine 0 CA--C 1.568 3.405 1 CA-C-O 112.894 -4.281 . . . . 0.0 115.982 -162.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.419 1.3 Cg_exo 11.51 -97.76 0.0 OUTLIER 'Cis proline' 0 C--N 1.389 2.661 2 CA-C-N 128.225 6.013 . . . . 0.0 123.085 27.131 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.259 1.8 pm0 -133.84 -47.7 0.8 Allowed 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 122.106 2.23 . . . . 0.0 115.04 -165.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.579 1.657 . . . . 0.0 107.717 -178.834 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -167.51 130.86 1.72 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.6 ptm -31.06 145.58 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.225 0 N-CA-C 119.976 3.324 . . . . 0.0 119.976 -172.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.274 10.6 mmpt? 66.08 81.6 0.2 Allowed 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 127.019 2.128 . . . . 0.0 111.198 -178.064 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.7 mt -146.85 -73.98 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -178.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -138.5 -54.31 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.427 1.491 . . . . 0.0 112.032 167.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.383 0.0 OUTLIER 66.69 159.45 0.14 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 123.4 1.571 . . . . 0.0 114.333 144.5 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -48.59 0.7 Allowed 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.5 173.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.5 144.17 0.56 Allowed 'General case' 0 C--N 1.367 1.356 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -151.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.96 -59.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -111.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.99 112.32 11.74 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 163.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.7 123.24 36.89 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.298 -159.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.95 -19.49 0.86 Allowed Glycine 0 CA--C 1.551 2.334 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 170.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 -2.36 1.21 Allowed 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -149.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtt-85 -128.77 -53.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.962 -1.495 . . . . 0.0 112.813 -148.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.36 -45.51 90.34 Favored Glycine 0 CA--C 1.574 3.77 1 CA-C-O 111.563 -5.02 . . . . 0.0 117.06 -175.083 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.01 149.92 94.92 Favored 'Cis proline' 0 C--N 1.391 2.815 1 CA-C-N 128.815 6.307 . . . . 0.0 113.301 4.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.0 -151.23 5.45 Favored Glycine 0 CA--C 1.567 3.324 0 CA-C-O 114.575 -3.347 . . . . 0.0 116.71 -175.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -82.81 139.57 38.51 Favored 'Cis proline' 0 C--N 1.389 2.682 1 CA-C-N 125.049 4.424 . . . . 0.0 112.769 10.195 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.541 HE21 ' HG ' ' A' ' 21' ' ' LEU 0.279 3.6 pm0 -167.21 -41.06 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.367 -1.778 . . . . 0.0 112.52 170.231 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 ' HG ' HE21 ' A' ' 20' ' ' GLN . 16.3 mt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 125.311 2.481 . . . . 0.0 113.029 -153.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t 66.68 90.16 0.1 Allowed 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 126.585 1.954 . . . . 0.0 112.013 179.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.294 0.3 OUTLIER 55.0 94.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.664 2.386 . . . . 0.0 114.512 173.277 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.389 9.3 mmmm 70.85 107.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 126.658 1.983 . . . . 0.0 114.416 154.362 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt 65.49 168.74 0.2 Allowed 'General case' 0 N--CA 1.521 3.101 1 CA-C-N 126.435 4.198 . . . . 0.0 110.756 -3.006 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -128.9 111.52 13.14 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -143.48 140.07 30.16 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -174.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.512 ' H ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -25.55 -10.95 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.106 1 N-CA-C 124.453 4.983 . . . . 0.0 124.453 134.258 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.2 138.96 6.53 Favored 'General case' 0 CA--C 1.564 1.516 1 N-CA-C 121.959 4.059 . . . . 0.0 121.959 -120.162 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.45 -68.23 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.227 1 CA-C-N 126.078 4.035 . . . . 0.0 110.659 -22.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 155.64 -29.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 124.88 1.272 . . . . 0.0 111.058 -120.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.2 -61.54 1.58 Allowed 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 126.263 1.825 . . . . 0.0 109.564 -171.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.39 116.31 2.01 Favored Glycine 0 C--N 1.366 2.212 0 N-CA-C 105.975 -2.85 . . . . 0.0 105.975 174.162 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -88.66 66.44 8.11 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.667 1.223 . . . . 0.0 111.84 -145.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -143.03 -77.57 0.24 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 116.739 -1.6 . . . . 0.0 108.548 -141.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.8 96.42 0.01 OUTLIER Glycine 0 CA--C 1.57 3.48 1 CA-C-O 112.241 -4.644 . . . . 0.0 113.775 -170.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.37 82.25 0.05 OUTLIER 'Cis proline' 0 C--N 1.386 2.51 1 CA-C-N 126.865 5.332 . . . . 0.0 113.931 14.006 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.02 -156.44 0.66 Allowed Glycine 1 CA--C 1.58 4.113 0 CA-C-O 114.575 -3.347 . . . . 0.0 118.662 166.028 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.77 169.74 31.43 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 125.094 4.447 . . . . 0.0 114.376 -8.835 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.85 -1.02 50.34 Favored 'General case' 0 N--CA 1.512 2.656 2 O-C-N 113.878 -5.514 . . . . 0.0 116.083 -2.621 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 125.15 2.405 . . . . 0.0 110.144 167.782 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -149.73 144.28 25.97 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.979 1.312 . . . . 0.0 109.781 -177.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.1 ttp -46.71 143.73 2.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.309 19.4 mmtp 54.35 72.16 0.47 Allowed 'General case' 0 CA--C 1.581 2.172 0 C-N-CA 126.98 2.112 . . . . 0.0 111.638 -176.289 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -46.88 142.31 3.5 Favored 'General case' 0 N--CA 1.5 2.025 2 O-C-N 113.655 -5.653 . . . . 0.0 119.12 14.552 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.618 ' HG ' HH21 ' A' ' 8' ' ' ARG . 78.3 p -143.22 -49.16 0.32 Allowed 'General case' 0 N--CA 1.495 1.775 2 CA-C-N 127.206 4.548 . . . . 0.0 113.269 -17.559 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HB3' ' H ' ' A' ' 6' ' ' SER . 1.4 p90 -153.04 138.33 17.5 Favored 'General case' 0 N--CA 1.493 1.677 2 CA-C-N 131.138 6.335 . . . . 0.0 107.812 5.725 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.618 HH21 ' HG ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -35.54 -14.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.994 1 N-CA-C 124.071 4.841 . . . . 0.0 124.071 146.95 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.31 146.38 34.56 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 121.231 3.789 . . . . 0.0 121.231 -119.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER -159.9 -88.86 0.03 OUTLIER 'General case' 0 C--N 1.372 1.585 0 CA-C-N 125.984 3.993 . . . . 0.0 108.553 -23.873 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.42 -30.74 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 125.847 1.659 . . . . 0.0 114.215 -150.172 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -86.86 -58.8 2.46 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 116.64 -1.648 . . . . 0.0 110.887 -159.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.68 50.31 0.07 OUTLIER Glycine 0 N--CA 1.494 2.511 0 N-CA-C 117.635 1.814 . . . . 0.0 117.635 165.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -156.38 -22.63 0.1 Allowed 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.928 1.291 . . . . 0.0 112.223 -166.14 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HG3' ' H ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -144.78 159.95 42.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 119.281 -2.137 . . . . 0.0 111.642 -93.47 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.648 ' HA2' ' HXT' ' A' ' 21' ' ' LEU . . . 89.23 65.79 1.26 Allowed Glycine 0 CA--C 1.562 3.011 1 CA-C-O 112.341 -4.588 . . . . 0.0 110.222 -167.608 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -75.88 136.26 43.89 Favored 'Cis proline' 0 C--N 1.392 2.849 1 CA-C-N 127.229 5.514 . . . . 0.0 113.358 6.58 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.3 -132.4 0.15 Allowed Glycine 0 CA--C 1.574 3.747 0 CA-C-O 113.71 -3.828 . . . . 0.0 114.387 -176.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.63 129.89 16.44 Favored 'Cis proline' 0 C--N 1.388 2.657 1 CA-C-N 125.828 4.814 . . . . 0.0 112.61 3.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -112.69 126.05 54.97 Favored 'General case' 0 N--CA 1.498 1.941 2 CA-C-N 127.595 4.725 . . . . 0.0 108.3 17.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' HXT' ' HA2' ' A' ' 16' ' ' GLY 0.289 4.4 mp . . . . . 0 N--CA 1.5 2.043 0 C-N-CA 126.625 1.97 . . . . 0.0 111.861 -179.108 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.556 1.183 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 54.62 80.84 0.11 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 126.911 2.084 . . . . 0.0 113.42 -179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -100.79 118.21 36.43 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.56 -9.56 9.19 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 176.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.85 -48.57 75.27 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 124.411 1.084 . . . . 0.0 112.678 156.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -76.08 156.99 33.39 Favored 'General case' 0 CA--C 1.58 2.126 0 O-C-N 124.499 1.125 . . . . 0.0 113.94 154.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HA ' ' H ' ' A' ' 9' ' ' ALA . 39.1 p90 -84.64 146.28 27.56 Favored 'General case' 0 N--CA 1.494 1.764 2 O-C-N 115.051 -4.78 . . . . 0.0 112.844 -10.355 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 98.54 11.55 Favored 'General case' 0 N--CA 1.486 1.364 2 O-C-N 115.609 -4.432 . . . . 0.0 109.743 2.772 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' H ' ' HA ' ' A' ' 7' ' ' PHE . . . -141.26 96.44 2.99 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.128 -2.306 . . . . 0.0 105.97 121.156 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -74.46 -76.62 0.13 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.199 -1.819 . . . . 0.0 107.894 -167.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 31.94 60.27 0.33 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 118.599 2.815 . . . . 0.0 118.599 155.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.416 0.3 OUTLIER 105.88 70.72 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 128.071 2.548 . . . . 0.0 105.44 -140.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.3 -111.38 2.7 Favored Glycine 0 C--N 1.362 1.98 2 O-C-N 112.824 -6.173 . . . . 0.0 106.51 -5.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -141.24 46.21 1.73 Allowed 'General case' 0 N--CA 1.513 2.687 0 CA-C-N 119.293 1.547 . . . . 0.0 112.111 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -153.39 -64.22 0.15 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.608 -163.533 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.44 70.08 1.34 Allowed Glycine 0 CA--C 1.558 2.773 1 CA-C-O 112.289 -4.617 . . . . 0.0 111.028 -176.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.42 146.63 69.14 Favored 'Cis proline' 0 C--N 1.388 2.632 1 CA-C-N 127.057 5.428 . . . . 0.0 114.231 -1.187 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.07 -150.96 12.19 Favored Glycine 0 CA--C 1.578 3.979 2 CA-C-N 128.611 5.187 . . . . 0.0 113.1 9.252 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -88.4 129.6 9.49 Favored 'Cis proline' 0 CA--C 1.581 2.829 1 CA-C-N 126.374 5.087 . . . . 0.0 113.135 -6.185 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -132.38 100.92 5.15 Favored 'General case' 0 N--CA 1.493 1.681 2 CA-C-N 128.817 5.281 . . . . 0.0 106.105 -0.222 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.333 8.4 mt . . . . . 0 N--CA 1.495 1.791 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.049 -171.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m 52.06 117.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 127.025 2.13 . . . . 0.0 115.266 -179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -124.86 154.49 40.96 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.225 1.012 . . . . 0.0 109.737 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.05 116.38 27.79 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 116.883 -1.532 . . . . 0.0 108.884 -140.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.01 151.46 51.73 Favored 'General case' 0 N--CA 1.5 2.054 2 CA-C-N 128.138 4.972 . . . . 0.0 108.2 -10.105 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.282 45.7 t 85.19 98.68 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 127.098 2.159 . . . . 0.0 105.887 -162.023 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.283 20.5 m-85 60.72 150.25 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 2 O-C-N 115.279 -4.638 . . . . 0.0 113.981 14.215 . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.03 95.88 Favored 'General case' 0 CA--C 1.575 1.933 1 O-C-N 115.726 -4.359 . . . . 0.0 114.422 3.612 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.87 15.08 14.33 Favored 'General case' 0 N--CA 1.498 1.975 2 CA-C-N 128.464 5.12 . . . . 0.0 117.249 -10.148 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HE ' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.33 172.05 13.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.686 -1.884 . . . . 0.0 111.534 -107.411 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.82 102.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 110.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -107.21 143.57 35.23 Favored 'General case' 0 N--CA 1.495 1.819 2 O-C-N 114.743 -4.973 . . . . 0.0 108.896 -43.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.52 -81.88 0.31 Allowed Glycine 0 N--CA 1.491 2.301 0 CA-C-O 121.231 0.351 . . . . 0.0 113.489 159.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.47 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 166.512 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -103.32 -39.9 6.62 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 116.184 -1.865 . . . . 0.0 115.508 -165.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -64.13 2.95 Favored Glycine 0 CA--C 1.565 3.191 1 CA-C-O 112.969 -4.24 . . . . 0.0 115.106 -163.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -69.41 143.7 73.93 Favored 'Cis proline' 0 C--N 1.389 2.672 1 CA-C-N 126.324 5.062 . . . . 0.0 113.9 8.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' HA2' HE21 ' A' ' 20' ' ' GLN . . . -114.37 -169.73 16.56 Favored Glycine 0 CA--C 1.575 3.783 0 CA-C-O 115.687 -2.729 . . . . 0.0 116.435 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.72 112.52 2.63 Favored 'Cis proline' 0 C--N 1.391 2.767 1 CA-C-N 124.525 4.162 . . . . 0.0 111.028 0.419 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.404 HE21 ' HA2' ' A' ' 18' ' ' GLY . 0.6 OUTLIER -151.73 -29.28 0.17 Allowed 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 115.654 -2.117 . . . . 0.0 115.125 177.242 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 11.3 mt . . . . . 0 N--CA 1.502 2.133 0 CA-C-N 122.273 2.306 . . . . 0.0 106.526 -162.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.321 0.0 OUTLIER 35.21 43.14 0.11 Allowed 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 121.562 3.912 . . . . 0.0 121.562 154.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -82.59 -45.11 15.0 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 123.979 0.912 . . . . 0.0 112.348 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.328 15.8 mt 66.4 59.24 0.65 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 127.308 2.243 . . . . 0.0 114.141 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -155.11 81.71 1.07 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 147.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.02 179.01 7.91 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.167 0.987 . . . . 0.0 109.317 -167.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -50.95 21.66 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 115.2 -2.333 . . . . 0.0 110.43 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.287 . . . . . . . 0 CA--C 1.563 1.459 2 CA-C-N 129.054 5.388 . . . . 0.0 109.301 -15.227 . . . . . . . . 2 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -144.09 75.22 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.81 1.644 . . . . 0.0 106.749 -152.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -115.98 122.84 46.44 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -133.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.82 73.6 1.23 Allowed Glycine 0 CA--C 1.561 2.927 1 CA-C-O 112.831 -4.316 . . . . 0.0 112.401 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.14 123.0 7.61 Favored 'Cis proline' 0 C--N 1.393 2.908 1 CA-C-N 126.524 5.162 . . . . 0.0 111.546 5.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.93 82.87 0.35 Allowed Glycine 0 N--CA 1.477 1.403 0 CA-C-O 113.568 -3.907 . . . . 0.0 111.748 -164.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -61.16 138.75 79.81 Favored 'Trans proline' 0 CA--C 1.579 2.744 1 CA-C-N 124.488 4.144 . . . . 0.0 115.557 166.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 62.29 1.27 Allowed 'General case' 0 N--CA 1.503 2.19 2 CA-C-N 128.174 4.988 . . . . 0.0 111.607 -0.391 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.918 2.295 . . . . 0.0 106.002 141.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 CA--C 1.561 1.39 0 N-CA-C 104.083 -2.562 . . . . 0.0 104.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.8 tpt -149.71 138.18 20.73 Favored 'General case' 0 N--CA 1.498 1.926 2 O-C-N 114.56 -5.088 . . . . 0.0 107.085 -5.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -88.39 90.74 8.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.485 1.114 . . . . 0.0 108.715 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -145.15 -75.88 0.22 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.02 138.8 31.21 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 116.855 -1.545 . . . . 0.0 110.152 123.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.77 177.75 7.74 Favored 'General case' 0 CA--C 1.584 2.287 2 CA-C-N 128.632 5.196 . . . . 0.0 109.123 -6.728 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -23.17 -9.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.789 1 N-CA-C 124.24 4.904 . . . . 0.0 124.24 146.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.271 . . . . . . . 0 CA--C 1.568 1.641 0 O-C-N 118.388 -2.695 . . . . 0.0 114.657 -85.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -88.39 63.01 6.9 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 122.433 1.111 . . . . 0.0 112.289 -147.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -151.66 -68.16 0.17 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 116.943 -1.503 . . . . 0.0 108.323 -160.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.98 79.5 0.85 Allowed Glycine 0 CA--C 1.56 2.858 1 CA-C-O 112.414 -4.548 . . . . 0.0 110.429 -175.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.06 157.31 97.51 Favored 'Cis proline' 0 C--N 1.385 2.457 1 CA-C-N 126.5 5.15 . . . . 0.0 114.336 13.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.82 -118.83 0.24 Allowed Glycine 0 CA--C 1.563 3.056 1 CA-C-O 112.269 -4.628 . . . . 0.0 113.208 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -64.9 148.4 72.18 Favored 'Cis proline' 0 C--N 1.39 2.753 1 CA-C-N 127.162 5.481 . . . . 0.0 117.208 13.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.11 -13.43 4.51 Favored 'General case' 0 N--CA 1.513 2.721 2 CA-C-N 127.166 4.53 . . . . 0.0 114.367 -7.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.364 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 126.888 2.075 . . . . 0.0 114.025 170.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.0 tpt 46.56 119.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 127.06 2.144 . . . . 0.0 115.241 171.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.347 11.1 mmpt? 68.63 89.51 0.1 Allowed 'General case' 0 CA--C 1.584 2.276 0 C-N-CA 126.89 2.076 . . . . 0.0 111.184 174.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -148.74 105.33 3.55 Favored 'General case' 0 N--CA 1.492 1.625 2 O-C-N 115.582 -4.449 . . . . 0.0 109.263 -4.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -156.57 57.13 0.56 Allowed 'General case' 0 CA--C 1.592 2.583 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 149.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.67 171.38 8.43 Favored 'General case' 0 N--CA 1.494 1.735 2 O-C-N 111.844 -6.785 . . . . 0.0 114.121 4.628 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -16.8 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.339 1 N-CA-C 122.279 4.177 . . . . 0.0 122.279 158.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.527 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -153.404 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.018 0 CA-C-O 117.536 -1.702 . . . . 0.0 115.664 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -117.16 93.25 4.11 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 123.042 3.421 . . . . 0.0 106.544 -81.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.47 -26.8 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 C-N-CA 126.078 1.751 . . . . 0.0 115.17 -154.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.94 74.42 1.12 Allowed Glycine 0 CA--C 1.554 2.51 1 CA-C-O 112.724 -4.376 . . . . 0.0 106.149 -162.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -60.56 136.52 16.39 Favored 'Cis proline' 0 C--N 1.394 2.936 1 CA-C-N 126.261 5.031 . . . . 0.0 118.51 12.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.72 161.14 15.07 Favored Glycine 0 CA--C 1.569 3.443 0 CA-C-O 115.608 -2.773 . . . . 0.0 116.799 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -71.18 116.48 3.11 Favored 'Cis proline' 0 C--N 1.392 2.868 1 CA-C-N 125.088 4.444 . . . . 0.0 109.657 -9.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.316 0.0 OUTLIER 72.87 -41.46 0.5 Allowed 'General case' 0 N--CA 1.519 2.997 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 124.77 2.224 . . . . 0.0 111.477 174.321 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.256 22.7 t . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.268 0.08 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.448 ' H ' ' HA ' ' A' ' 21' ' ' LEU . 60.4 mmm -147.36 144.3 28.63 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.809 -160.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -74.55 -64.46 1.03 Allowed 'General case' 0 N--CA 1.504 2.273 2 O-C-N 114.968 -4.833 . . . . 0.0 109.9 -9.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -135.6 -64.55 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.012 1.278 . . . . 0.0 108.301 152.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -102.65 121.7 42.94 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 165.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.305 82.9 t80 -102.93 -101.22 0.29 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -136.27 -59.93 0.73 Allowed 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 115.64 -2.124 . . . . 0.0 105.856 -170.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 2 CA-C-N 128.921 5.328 . . . . 0.0 109.477 -6.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -143.72 14.49 1.75 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 124.854 1.262 . . . . 0.0 112.363 -157.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -139.78 -59.91 0.55 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 116.57 -1.681 . . . . 0.0 108.93 -127.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.81 104.85 0.92 Allowed Glycine 0 CA--C 1.556 2.61 1 CA-C-O 112.669 -4.406 . . . . 0.0 112.59 164.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -82.22 85.76 0.03 OUTLIER 'Cis proline' 0 C--N 1.39 2.732 1 CA-C-N 126.798 5.299 . . . . 0.0 110.245 -3.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.66 49.51 Favored Glycine 1 CA--C 1.578 4.012 0 CA-C-O 115.364 -2.909 . . . . 0.0 115.309 -175.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.45 155.32 70.96 Favored 'Cis proline' 0 C--N 1.386 2.546 1 CA-C-N 124.805 4.302 . . . . 0.0 116.405 -3.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.269 0.0 OUTLIER -91.11 -32.35 15.89 Favored 'General case' 0 N--CA 1.51 2.553 2 O-C-N 115.828 -4.295 . . . . 0.0 113.711 -6.897 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HA ' ' H ' ' A' ' 3' ' ' MET . 32.7 mt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 123.108 1.432 . . . . 0.0 112.375 -176.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.299 0.0 OUTLIER -63.21 169.69 3.38 Favored 'General case' 0 CA--C 1.576 1.973 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -173.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.278 10.6 mmpt? 65.97 42.14 3.44 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.721 1.608 . . . . 0.0 113.934 -161.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -151.17 -76.93 0.14 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 160.5 14.48 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.311 1.444 . . . . 0.0 109.2 158.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.31 26.48 Favored 'General case' 0 CA--C 1.584 2.272 0 C-N-CA 124.001 0.92 . . . . 0.0 112.063 -169.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -120.35 109.31 15.2 Favored 'General case' 0 C--N 1.366 1.312 2 O-C-N 113.538 -5.726 . . . . 0.0 110.014 12.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.361 0 CA-C-N 112.932 -1.94 . . . . 0.0 110.57 145.841 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 N-CA-C 117.41 1.724 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.25 0.0 OUTLIER -166.01 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 124.696 1.198 . . . . 0.0 109.911 -167.007 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -154.04 132.67 12.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.433 1.493 . . . . 0.0 107.15 -161.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.78 -65.66 0.38 Allowed Glycine 0 CA--C 1.562 2.981 1 CA-C-O 112.616 -4.436 . . . . 0.0 110.848 -172.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.71 144.93 75.45 Favored 'Cis proline' 0 C--N 1.388 2.658 1 CA-C-N 127.065 5.433 . . . . 0.0 112.946 6.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.7 -160.97 21.08 Favored Glycine 1 CA--C 1.579 4.044 0 CA-C-O 115.159 -3.023 . . . . 0.0 114.534 169.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -79.54 112.85 2.74 Favored 'Cis proline' 0 C--N 1.39 2.731 1 CA-C-N 125.63 4.715 . . . . 0.0 111.669 1.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.348 2.7 pm0 165.29 -50.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 127.495 2.318 . . . . 0.0 107.558 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.499 2.003 0 C-N-CA 125.173 1.389 . . . . 0.0 112.882 -175.146 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.5 2.053 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.261 0.4 OUTLIER 59.23 127.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 127.224 2.21 . . . . 0.0 112.856 178.048 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -153.99 -56.13 0.11 Allowed 'General case' 0 CA--C 1.579 2.065 0 CA-C-O 114.655 -2.593 . . . . 0.0 109.06 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.92 -87.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.86 2 CA-C-N 131.2 6.364 . . . . 0.0 107.245 7.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 t 23.35 67.49 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.889 2.922 . . . . 0.0 118.889 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.273 55.6 t80 -123.61 -121.22 0.27 Allowed 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 105.172 -2.159 . . . . 0.0 105.172 -166.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 0.76 0.1 Allowed 'General case' 0 CA--C 1.576 1.975 0 C-N-CA 127.53 2.332 . . . . 0.0 112.325 -164.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 117.036 2.236 . . . . 0.0 117.036 -121.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.04 109.25 21.08 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -129.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -150.55 89.53 1.57 Allowed 'General case' 0 N--CA 1.503 2.199 2 O-C-N 115.004 -4.81 . . . . 0.0 108.529 18.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.09 87.53 0.08 OUTLIER Glycine 0 CA--C 1.566 3.263 1 CA-C-O 112.136 -4.702 . . . . 0.0 114.868 168.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.3 152.49 96.23 Favored 'Cis proline' 0 C--N 1.386 2.502 1 CA-C-N 127.066 5.433 . . . . 0.0 113.097 3.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.17 -92.23 1.14 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 113.342 -4.032 . . . . 0.0 110.136 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.71 158.81 87.27 Favored 'Cis proline' 0 CA--C 1.573 2.466 1 CA-C-N 125.413 4.606 . . . . 0.0 114.894 1.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.262 0.7 OUTLIER -76.58 -52.34 9.91 Favored 'General case' 0 N--CA 1.511 2.612 1 O-C-N 115.758 -4.339 . . . . 0.0 112.145 14.799 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 124.443 2.068 . . . . 0.0 110.301 -169.011 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.575 1.93 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 ttp -150.67 140.17 21.51 Favored 'General case' 0 N--CA 1.497 1.901 2 O-C-N 113.584 -5.698 . . . . 0.0 107.466 -9.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 66.48 87.0 0.13 Allowed 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 126.823 2.049 . . . . 0.0 108.683 -173.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.78 134.22 40.49 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.926 0.491 . . . . 0.0 110.545 -152.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 63.91 88.34 0.1 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 126.486 1.915 . . . . 0.0 111.136 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.276 79.9 t80 -111.44 -88.64 0.52 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -162.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -58.5 0.1 Allowed 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.229 -2.319 . . . . 0.0 107.001 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.658 2 CA-C-N 129.523 5.601 . . . . 0.0 111.052 3.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.381 0 N-CA-C 106.886 -2.486 . . . . 0.0 106.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -83.52 47.41 1.27 Allowed 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -161.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -141.34 -62.6 0.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.557 -1.687 . . . . 0.0 110.843 -138.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.78 73.29 1.08 Allowed Glycine 0 CA--C 1.562 2.993 1 CA-C-O 112.539 -4.479 . . . . 0.0 112.651 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -69.93 156.82 93.06 Favored 'Cis proline' 0 C--N 1.389 2.671 1 CA-C-N 126.979 5.389 . . . . 0.0 114.16 2.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.51 -111.34 0.01 OUTLIER Glycine 0 CA--C 1.565 3.205 1 CA-C-O 112.033 -4.76 . . . . 0.0 114.387 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -75.86 153.85 98.1 Favored 'Cis proline' 0 CA--C 1.578 2.703 1 CA-C-N 127.526 5.663 . . . . 0.0 116.332 8.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.85 62.55 0.67 Allowed 'General case' 0 N--CA 1.511 2.603 2 CA-C-N 127.871 4.85 . . . . 0.0 108.531 -6.527 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.28 19.9 mt . . . . . 0 N--CA 1.499 1.99 0 C-N-CA 126.502 1.921 . . . . 0.0 112.55 -164.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.552 ' H ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mmm -143.44 132.96 23.54 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.862 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 22.66 14.07 Favored 'General case' 0 CA--C 1.597 2.781 2 O-C-N 114.35 -5.219 . . . . 0.0 115.129 12.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.48 160.88 14.56 Favored 'General case' 0 N--CA 1.489 1.487 2 O-C-N 110.329 -7.732 . . . . 0.0 108.849 5.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p 74.95 116.88 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 127.14 2.176 . . . . 0.0 111.07 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -130.18 -81.77 0.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.351 1.032 . . . . 0.0 108.39 -165.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 31.2 ptt180 147.47 -57.95 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 C-N-CA 126.098 1.759 . . . . 0.0 106.697 -132.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.153 0 C-N-CA 129.162 2.985 . . . . 0.0 116.499 -178.915 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.347 0 N-CA-C 106.314 -2.715 . . . . 0.0 106.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.74 71.26 4.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.513 1.149 . . . . 0.0 110.453 -139.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -145.31 -70.54 0.27 Allowed 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.059 -141.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.94 93.15 0.06 OUTLIER Glycine 0 CA--C 1.565 3.158 1 CA-C-O 112.263 -4.632 . . . . 0.0 113.648 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.54 78.6 0.09 OUTLIER 'Cis proline' 0 C--N 1.389 2.693 1 CA-C-N 126.965 5.383 . . . . 0.0 113.637 5.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.5 -148.72 50.5 Favored Glycine 0 CA--C 1.573 3.699 0 CA-C-O 114.48 -3.4 . . . . 0.0 118.083 165.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.28 150.35 79.49 Favored 'Cis proline' 0 C--N 1.391 2.765 1 CA-C-N 124.708 4.254 . . . . 0.0 114.892 3.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.49 3.49 2.8 Favored 'General case' 0 N--CA 1.516 2.837 2 O-C-N 115.316 -4.615 . . . . 0.0 115.347 5.6 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' H ' ' A' ' 3' ' ' MET 0.377 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.452 0 C-N-CA 125.911 1.685 . . . . 0.0 114.947 165.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 117.588 -1.196 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -12.38 152.83 0.0 OUTLIER 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 121.569 3.915 . . . . 0.0 121.569 166.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -85.39 96.27 9.51 Favored 'General case' 0 N--CA 1.496 1.87 2 CA-C-N 128.032 4.924 . . . . 0.0 106.825 -11.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 tp -125.96 -76.52 0.58 Allowed 'General case' 0 CA--C 1.561 1.366 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -136.46 119.65 16.65 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 161.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -106.13 154.15 21.07 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.97 29.11 0.21 Allowed 'General case' 0 N--CA 1.511 2.582 1 O-C-N 115.626 -4.421 . . . . 0.0 113.194 -8.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.927 0 O-C-N 116.918 -3.614 . . . . 0.0 116.249 -91.29 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.396 0 CA-C-O 118.571 -1.127 . . . . 0.0 115.673 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.4 71.08 1.26 Allowed 'General case' 0 N--CA 1.509 2.492 2 CA-C-N 126.529 5.164 . . . . 0.0 109.702 11.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -149.47 -46.92 0.14 Allowed 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.931 -150.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.38 97.53 Favored Glycine 0 CA--C 1.573 3.714 1 CA-C-O 111.626 -4.986 . . . . 0.0 118.794 -169.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.89 145.79 85.0 Favored 'Cis proline' 0 C--N 1.392 2.842 1 CA-C-N 128.558 6.179 . . . . 0.0 113.369 13.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.82 165.62 12.06 Favored Glycine 0 CA--C 1.575 3.801 0 CA-C-O 115.743 -2.698 . . . . 0.0 116.279 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.63 128.75 16.35 Favored 'Cis proline' 0 C--N 1.393 2.881 1 CA-C-N 124.209 4.005 . . . . 0.0 111.036 6.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 0.0 OUTLIER -131.93 -46.28 0.94 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 125.134 1.521 . . . . 0.0 111.161 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 125.014 2.34 . . . . 0.0 111.044 173.439 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.0 mmm -140.36 123.02 16.28 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.426 -1.273 . . . . 0.0 108.026 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -76.22 -59.01 2.95 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 114.447 -5.158 . . . . 0.0 110.869 -4.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -146.28 -55.51 0.27 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 121.594 1.997 . . . . 0.0 112.527 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -89.38 -61.68 1.65 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.94 -161.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.312 55.8 t80 -124.49 -89.95 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 2 CA-C-N 130.692 6.133 . . . . 0.0 106.608 -2.058 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -147.2 -62.59 0.28 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -167.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 2 CA-C-N 129.218 5.463 . . . . 0.0 110.452 -6.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 N-CA-C 105.436 -3.066 . . . . 0.0 105.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -85.79 52.09 2.38 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-O 123.384 1.564 . . . . 0.0 113.078 -162.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER 176.23 -49.9 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 124.869 1.268 . . . . 0.0 110.857 -140.011 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.93 -146.89 17.57 Favored Glycine 0 CA--C 1.56 2.876 0 CA-C-O 114.782 -3.232 . . . . 0.0 110.358 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -72.34 107.04 2.18 Favored 'Trans proline' 0 C--N 1.39 2.737 1 CA-C-N 127.044 5.422 . . . . 0.0 113.286 -161.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.67 -143.85 6.32 Favored Glycine 0 CA--C 1.574 3.755 2 CA-C-N 128.613 5.188 . . . . 0.0 111.656 4.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -69.87 151.83 92.06 Favored 'Cis proline' 0 C--N 1.386 2.533 1 CA-C-N 125.382 4.591 . . . . 0.0 114.931 -5.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -37.81 12.49 Favored 'General case' 0 N--CA 1.524 3.249 2 O-C-N 115.514 -4.492 . . . . 0.0 112.962 -10.303 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 124.926 2.298 . . . . 0.0 110.155 -169.836 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.355 1.5 tpt -80.79 -68.15 0.71 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 117.515 -1.231 . . . . 0.0 111.147 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.7 -9.63 21.32 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 169.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.307 11.6 mt 66.09 67.21 0.47 Allowed 'General case' 0 N--CA 1.509 2.5 0 C-N-CA 127.473 2.309 . . . . 0.0 112.409 -169.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -159.98 -172.89 3.81 Favored 'General case' 0 CA--C 1.601 2.921 0 CA-C-N 112.159 -2.291 . . . . 0.0 107.499 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.06 -67.5 0.84 Allowed 'General case' 0 N--CA 1.493 1.711 2 O-C-N 110.847 -7.408 . . . . 0.0 109.453 -9.386 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -65.36 0.09 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 101.978 -3.342 . . . . 0.0 101.978 -153.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.753 2 CA-C-N 129.437 5.562 . . . . 0.0 113.018 2.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' H ' ' HD2' ' A' ' 15' ' ' ARG . 5.6 m-85 -140.24 43.93 1.89 Allowed 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.645 0.778 . . . . 0.0 110.79 -165.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HD2' ' H ' ' A' ' 14' ' ' PHE 0.274 0.0 OUTLIER -143.72 -74.22 0.26 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 116.537 -1.697 . . . . 0.0 108.945 -155.998 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.4 109.09 0.1 Allowed Glycine 0 CA--C 1.565 3.186 1 CA-C-O 111.523 -5.043 . . . . 0.0 112.467 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -88.0 157.87 43.58 Favored 'Cis proline' 0 C--N 1.388 2.607 1 CA-C-N 128.12 5.96 . . . . 0.0 114.065 2.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.99 -166.59 34.7 Favored Glycine 0 CA--C 1.576 3.845 0 CA-C-O 115.276 -2.958 . . . . 0.0 114.37 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -108.3 16.19 0.1 Allowed 'Trans proline' 0 CA--C 1.601 3.874 1 CA-C-N 125.253 4.526 . . . . 0.0 121.98 159.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.468 0.2 OUTLIER 64.63 -55.75 0.27 Allowed 'General case' 0 N--CA 1.496 1.834 2 CA-C-N 133.954 7.615 . . . . 0.0 115.217 19.131 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 5.5 mp . . . . . 0 N--CA 1.497 1.896 0 C-N-CA 128.296 2.638 . . . . 0.0 113.789 171.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.9 ptm -65.49 153.41 41.48 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 117.101 2.259 . . . . 0.0 117.101 -170.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.58 100.3 10.14 Favored 'General case' 0 N--CA 1.493 1.709 2 CA-C-N 127.679 4.763 . . . . 0.0 104.964 -18.233 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -139.86 -72.13 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -94.1 123.22 37.34 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 116.379 -1.772 . . . . 0.0 107.69 150.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -142.8 -85.02 0.16 Allowed 'General case' 0 N--CA 1.496 1.859 2 CA-C-N 128.549 5.159 . . . . 0.0 110.42 -0.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 13.77 0.95 Allowed 'General case' 0 CA--C 1.591 2.549 0 C-N-CA 126.855 2.062 . . . . 0.0 113.508 -166.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.265 . . . . . . . 0 CA--C 1.559 1.316 0 O-C-N 117.371 -3.331 . . . . 0.0 116.058 -83.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.59 52.19 2.4 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.944 1.354 . . . . 0.0 112.08 -165.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HD3' ' H ' ' A' ' 16' ' ' GLY 0.348 0.0 OUTLIER 177.71 -64.9 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 116.417 -1.754 . . . . 0.0 108.447 -146.079 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.413 ' H ' ' HD3' ' A' ' 15' ' ' ARG . . . 86.82 96.82 0.84 Allowed Glycine 0 CA--C 1.556 2.619 1 CA-C-O 111.936 -4.813 . . . . 0.0 113.22 171.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.39 150.59 37.51 Favored 'Cis proline' 0 CA--C 1.58 2.822 1 CA-C-N 127.656 5.728 . . . . 0.0 113.783 -7.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.61 -153.16 24.55 Favored Glycine 1 CA--C 1.579 4.079 2 CA-C-N 129.728 5.695 . . . . 0.0 112.559 1.227 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.48 135.49 15.85 Favored 'Cis proline' 0 C--N 1.392 2.83 1 CA-C-N 125.028 4.414 . . . . 0.0 114.307 -1.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.265 1.1 pp0? -160.55 -15.86 0.05 Allowed 'General case' 0 N--CA 1.524 3.26 1 CA-C-N 126.632 4.287 . . . . 0.0 115.814 2.706 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 122.976 1.37 . . . . 0.0 113.701 -176.817 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.2 mmm -124.48 134.27 53.09 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.34 -174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.78 57.67 0.91 Allowed 'General case' 0 CA--C 1.592 2.585 2 O-C-N 114.245 -5.285 . . . . 0.0 110.225 16.071 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.59 -34.97 67.78 Favored 'General case' 0 N--CA 1.506 2.374 2 O-C-N 111.012 -7.305 . . . . 0.0 113.759 -11.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -74.76 115.12 13.98 Favored 'General case' 0 CA--C 1.578 2.02 0 CA-C-O 116.803 -1.57 . . . . 0.0 109.859 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.38 -68.99 0.46 Allowed 'General case' 0 N--CA 1.493 1.721 2 CA-C-N 128.56 5.164 . . . . 0.0 111.665 7.597 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -127.26 -145.03 0.31 Allowed 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 -150.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 1.635 0 O-C-N 116.778 -3.701 . . . . 0.0 106.265 98.873 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -89.37 41.99 1.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 123.437 1.589 . . . . 0.0 110.946 168.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -164.39 -51.98 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 117.325 -1.321 . . . . 0.0 108.91 -125.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.09 -45.93 56.55 Favored Glycine 0 CA--C 1.574 3.771 1 CA-C-O 112.057 -4.746 . . . . 0.0 118.475 -177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -69.24 147.6 83.87 Favored 'Cis proline' 0 C--N 1.393 2.871 1 CA-C-N 128.194 5.997 . . . . 0.0 114.163 8.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.09 -152.45 5.93 Favored Glycine 0 CA--C 1.573 3.695 0 CA-C-O 115.077 -3.068 . . . . 0.0 115.128 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.66 111.4 1.42 Allowed 'Cis proline' 0 C--N 1.393 2.902 1 CA-C-N 124.875 4.338 . . . . 0.0 111.232 6.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -44.9 3.36 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.82 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.492 1.646 0 CA-C-N 120.074 1.306 . . . . 0.0 109.795 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 CA--C 1.567 1.616 0 CA-C-O 118.189 -0.91 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.332 0.0 OUTLIER -126.35 -58.93 1.33 Allowed 'General case' 0 N--CA 1.508 2.437 2 O-C-N 113.644 -5.66 . . . . 0.0 112.796 12.654 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 108.01 20.17 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 172.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.84 136.93 38.15 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.026 0.53 . . . . 0.0 111.194 -146.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t 62.0 96.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 126.918 2.087 . . . . 0.0 111.013 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.351 86.6 t80 -111.09 -112.07 0.33 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 116.357 -1.783 . . . . 0.0 108.427 -154.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -137.94 -62.17 0.6 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 115.604 -2.141 . . . . 0.0 106.185 -160.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 2 CA-C-N 129.1 5.409 . . . . 0.0 111.649 0.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.004 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.15 21.09 0.94 Allowed 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -166.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -146.87 -63.99 0.29 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 116.542 -1.694 . . . . 0.0 109.437 -134.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.03 81.61 0.77 Allowed Glycine 0 CA--C 1.565 3.178 1 CA-C-O 111.989 -4.784 . . . . 0.0 111.248 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -91.78 109.14 0.87 Allowed 'Cis proline' 0 C--N 1.389 2.681 1 CA-C-N 127.479 5.639 . . . . 0.0 113.865 7.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.52 30.61 Favored Glycine 0 CA--C 1.57 3.525 0 CA-C-O 115.211 -2.994 . . . . 0.0 119.086 150.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.93 117.86 5.03 Favored 'Cis proline' 0 CA--C 1.58 2.799 0 CA-C-N 124.175 3.988 . . . . 0.0 112.859 8.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -114.81 145.86 41.67 Favored 'General case' 0 N--CA 1.5 2.035 2 CA-C-N 128.613 5.188 . . . . 0.0 109.618 -4.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.266 13.7 mt . . . . . 0 N--CA 1.508 2.469 0 C-N-CA 126.648 1.979 . . . . 0.0 113.585 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.9 tpt -87.86 138.96 31.0 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.459 0.704 . . . . 0.0 110.149 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 101.93 10.23 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 -163.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 mt -145.15 -92.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 102.007 -3.331 . . . . 0.0 102.007 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -175.03 115.46 0.16 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 121.152 1.796 . . . . 0.0 107.308 147.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -140.68 -57.85 0.52 Allowed 'General case' 0 N--CA 1.502 2.139 2 O-C-N 114.82 -4.925 . . . . 0.0 109.65 -17.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -7.81 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 121.742 3.979 . . . . 0.0 121.742 98.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 115.231 -2.319 . . . . 0.0 117.01 -149.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.229 0 CA-C-O 122.677 1.154 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -144.21 -8.55 0.69 Allowed 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 113.56 -1.32 . . . . 0.0 114.337 -169.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 -49.37 0.28 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.077 1.351 . . . . 0.0 111.252 -168.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 73.4 1.27 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 112.322 -4.599 . . . . 0.0 108.944 -174.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.89 153.38 97.43 Favored 'Cis proline' 0 C--N 1.388 2.633 1 CA-C-N 126.667 5.233 . . . . 0.0 114.031 12.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.65 -94.38 0.56 Allowed Glycine 0 CA--C 1.557 2.672 1 CA-C-O 112.892 -4.282 . . . . 0.0 113.76 -165.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.89 139.98 62.53 Favored 'Cis proline' 0 CA--C 1.579 2.749 1 CA-C-N 126.021 4.91 . . . . 0.0 114.179 10.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -113.44 85.74 2.25 Favored 'General case' 0 N--CA 1.503 2.177 2 CA-C-N 128.255 5.025 . . . . 0.0 108.887 0.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.312 14.5 mt . . . . . 0 N--CA 1.501 2.088 0 C-N-CA 126.628 1.971 . . . . 0.0 111.764 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.542 0.686 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.322 13.0 ptm 59.5 139.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.378 1.871 . . . . 0.0 114.623 171.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? 51.03 64.96 1.62 Allowed 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 125.979 1.712 . . . . 0.0 114.03 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -146.35 -68.55 0.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 117.812 -1.09 . . . . 0.0 108.68 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -108.86 -51.41 2.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.876 1.27 . . . . 0.0 112.749 174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.325 0.1 OUTLIER 65.09 147.44 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.745 1.618 . . . . 0.0 114.741 166.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -69.93 -51.77 30.05 Favored 'General case' 0 N--CA 1.5 2.027 2 O-C-N 115.727 -4.358 . . . . 0.0 111.461 13.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 2 CA-C-N 128.622 5.192 . . . . 0.0 113.942 -19.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 122.481 3.752 . . . . 0.0 122.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -16.69 5.1 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -145.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -130.61 -47.36 1.06 Allowed 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.97 -144.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.57 89.5 Favored Glycine 0 CA--C 1.571 3.589 1 CA-C-O 111.412 -5.105 . . . . 0.0 118.143 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.14 147.08 82.18 Favored 'Cis proline' 0 C--N 1.391 2.795 1 CA-C-N 128.64 6.22 . . . . 0.0 114.03 16.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.46 -179.29 23.91 Favored Glycine 1 CA--C 1.579 4.061 0 CA-C-O 115.563 -2.799 . . . . 0.0 115.582 172.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -77.59 134.06 33.11 Favored 'Cis proline' 0 C--N 1.394 2.956 1 CA-C-N 125.415 4.608 . . . . 0.0 111.703 4.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.359 0.0 OUTLIER 150.38 -56.22 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 127.006 2.122 . . . . 0.0 107.384 -168.231 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 125.146 2.403 . . . . 0.0 106.04 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.25 17.2 ttp 51.31 152.81 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 127.141 2.176 . . . . 0.0 115.314 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? 54.67 78.8 0.16 Allowed 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 126.339 1.856 . . . . 0.0 112.679 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.38 -107.37 0.1 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -152.78 84.17 1.23 Allowed 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 103.703 -2.703 . . . . 0.0 103.703 148.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.358 53.3 t80 71.66 143.06 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 2 O-C-N 114.231 -5.293 . . . . 0.0 110.916 11.008 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.95 -59.51 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 CA-C-N 110.792 -2.913 . . . . 0.0 104.844 -142.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.374 . . . . . . . 0 CA--C 1.569 1.676 0 C-N-CA 127.54 2.336 . . . . 0.0 116.269 -172.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.6 0 N-CA-C 118.535 2.174 . . . . 0.0 118.535 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.98 -48.03 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 119.005 1.403 . . . . 0.0 111.374 -165.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -116.66 -52.02 2.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.808 -1.568 . . . . 0.0 112.882 -153.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.25 -38.6 41.02 Favored Glycine 1 CA--C 1.579 4.039 1 CA-C-O 111.065 -5.297 . . . . 0.0 118.88 -178.702 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.15 152.57 18.86 Favored 'Cis proline' 0 C--N 1.393 2.903 1 CA-C-N 129.971 6.885 . . . . 0.0 114.764 -2.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.78 152.0 7.77 Favored Glycine 0 CA--C 1.568 3.345 0 CA-C-O 114.41 -3.439 . . . . 0.0 116.812 160.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -78.41 92.03 1.16 Allowed 'Trans proline' 0 C--N 1.398 3.159 1 CA-C-N 125.952 4.876 . . . . 0.0 110.891 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.357 3.5 pp0? 156.46 -53.08 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 126.658 1.983 . . . . 0.0 107.375 -152.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.367 1.356 0 CA-C-O 124.167 1.937 . . . . 0.0 106.098 169.673 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.291 11.6 ttt 52.04 141.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.03 2.132 . . . . 0.0 115.621 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.267 65.5 mmtt 47.98 66.68 0.98 Allowed 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 126.721 2.008 . . . . 0.0 115.082 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.6 -65.34 0.29 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.618 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -105.47 -52.85 2.75 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 116.423 -1.751 . . . . 0.0 113.271 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.25 0.5 OUTLIER 62.94 158.12 0.07 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 121.979 2.172 . . . . 0.0 113.808 167.784 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -96.45 111.17 23.37 Favored 'General case' 0 N--CA 1.478 0.945 2 O-C-N 114.039 -5.413 . . . . 0.0 109.464 11.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.924 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.088 137.429 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 117.417 1.727 . . . . 0.0 117.417 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -152.16 -19.41 0.18 Allowed 'General case' 0 N--CA 1.511 2.597 0 C-N-CA 124.707 1.203 . . . . 0.0 114.067 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -149.28 -46.03 0.14 Allowed 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 125.354 1.462 . . . . 0.0 112.879 -140.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.27 -56.23 26.37 Favored Glycine 0 CA--C 1.571 3.567 1 CA-C-O 112.34 -4.589 . . . . 0.0 115.583 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.3 146.17 76.6 Favored 'Cis proline' 0 C--N 1.387 2.573 1 CA-C-N 127.075 5.437 . . . . 0.0 112.772 -0.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.26 126.05 0.83 Allowed Glycine 0 CA--C 1.554 2.495 1 CA-C-O 113.006 -4.219 . . . . 0.0 114.436 172.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.76 76.84 3.18 Favored 'Trans proline' 0 C--N 1.391 2.795 1 CA-C-N 126.15 4.975 . . . . 0.0 113.323 168.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.339 3.0 pm0 163.19 -49.28 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 127.949 2.499 . . . . 0.0 107.769 -167.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 124.601 2.143 . . . . 0.0 110.962 -178.344 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 122.145 0.974 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.318 0.2 OUTLIER 52.56 121.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 127.594 2.358 . . . . 0.0 115.201 172.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.268 47.8 mmtt 41.1 68.49 0.43 Allowed 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 126.933 2.093 . . . . 0.0 115.842 -173.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -144.78 -74.79 0.24 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -149.17 113.39 5.21 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 163.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.27 6.9 t80 67.48 100.36 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 2 O-C-N 114.038 -5.414 . . . . 0.0 109.696 6.008 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.25 85.27 7.24 Favored 'General case' 0 N--CA 1.487 1.408 2 O-C-N 114.611 -5.056 . . . . 0.0 113.235 10.512 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.062 107.161 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 117.091 1.597 . . . . 0.0 117.091 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.6 -67.29 0.12 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -176.067 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 145.58 25.98 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.142 1.377 . . . . 0.0 109.383 162.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.41 -74.92 0.2 Allowed Glycine 0 CA--C 1.553 2.419 1 CA-C-O 113.026 -4.208 . . . . 0.0 108.361 175.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -72.63 146.36 86.39 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 126.136 4.968 . . . . 0.0 113.287 0.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.21 -149.86 5.1 Favored Glycine 0 CA--C 1.571 3.55 0 CA-C-O 114.533 -3.371 . . . . 0.0 115.329 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -78.4 134.45 33.5 Favored 'Cis proline' 0 C--N 1.39 2.739 1 CA-C-N 125.581 4.691 . . . . 0.0 112.595 5.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -164.26 -37.95 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.958 1.703 . . . . 0.0 111.863 166.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 122.881 1.324 . . . . 0.0 109.21 -165.452 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -77.24 148.5 35.76 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.349 1.06 . . . . 0.0 113.258 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.36 64.3 mmtt 52.59 77.19 0.16 Allowed 'General case' 0 CA--C 1.581 2.173 0 C-N-CA 127.49 2.316 . . . . 0.0 114.767 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.15 138.77 42.25 Favored 'General case' 0 N--CA 1.494 1.746 1 O-C-N 115.218 -4.676 . . . . 0.0 110.625 -9.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -133.12 134.82 44.72 Favored 'General case' 0 N--CA 1.494 1.767 2 CA-C-N 129.176 5.444 . . . . 0.0 107.765 -8.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.8 -55.13 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 1 O-C-N 114.961 -4.837 . . . . 0.0 114.403 55.358 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.342 0.0 OUTLIER 151.72 -50.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 127.864 2.466 . . . . 0.0 105.763 -137.573 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.349 0 C-N-CA 128.688 2.795 . . . . 0.0 113.437 -160.668 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.745 0 N-CA-C 115.099 0.8 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 13.2 m-85 55.1 42.19 31.01 Favored 'General case' 0 CA--C 1.59 2.513 0 C-N-CA 126.884 2.073 . . . . 0.0 114.879 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -152.19 115.8 4.81 Favored 'General case' 0 N--CA 1.497 1.875 2 O-C-N 112.223 -6.548 . . . . 0.0 106.879 -8.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.24 80.46 0.88 Allowed Glycine 0 CA--C 1.559 2.842 1 CA-C-O 112.61 -4.439 . . . . 0.0 113.454 147.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -60.57 147.99 46.21 Favored 'Cis proline' 0 C--N 1.392 2.865 1 CA-C-N 126.459 5.129 . . . . 0.0 114.864 4.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.89 0.17 Allowed Glycine 0 CA--C 1.568 3.405 1 CA-C-O 112.894 -4.281 . . . . 0.0 115.982 -162.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.419 1.3 Cg_exo 11.51 -97.76 0.0 OUTLIER 'Cis proline' 0 C--N 1.389 2.661 2 CA-C-N 128.225 6.013 . . . . 0.0 123.085 27.131 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.259 1.8 pm0 -133.84 -47.7 0.8 Allowed 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 122.106 2.23 . . . . 0.0 115.04 -165.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.579 1.657 . . . . 0.0 107.717 -178.834 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.6 ptm -31.06 145.58 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.225 0 N-CA-C 119.976 3.324 . . . . 0.0 119.976 -172.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.274 10.6 mmpt? 66.08 81.6 0.2 Allowed 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 127.019 2.128 . . . . 0.0 111.198 -178.064 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.7 mt -146.85 -73.98 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -178.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -138.5 -54.31 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.427 1.491 . . . . 0.0 112.032 167.173 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.383 0.0 OUTLIER 66.69 159.45 0.14 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 123.4 1.571 . . . . 0.0 114.333 144.5 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -48.59 0.7 Allowed 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.5 173.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.356 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -151.2 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.334 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 -2.36 1.21 Allowed 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -149.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtt-85 -128.77 -53.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.962 -1.495 . . . . 0.0 112.813 -148.252 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.36 -45.51 90.34 Favored Glycine 0 CA--C 1.574 3.77 1 CA-C-O 111.563 -5.02 . . . . 0.0 117.06 -175.083 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.01 149.92 94.92 Favored 'Cis proline' 0 C--N 1.391 2.815 1 CA-C-N 128.815 6.307 . . . . 0.0 113.301 4.379 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.0 -151.23 5.45 Favored Glycine 0 CA--C 1.567 3.324 0 CA-C-O 114.575 -3.347 . . . . 0.0 116.71 -175.697 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -82.81 139.57 38.51 Favored 'Cis proline' 0 C--N 1.389 2.682 1 CA-C-N 125.049 4.424 . . . . 0.0 112.769 10.195 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.486 HE21 ' HG ' ' A' ' 21' ' ' LEU 0.279 3.6 pm0 -167.21 -41.06 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.367 -1.778 . . . . 0.0 112.52 170.231 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' HE21 ' A' ' 20' ' ' GLN . 16.3 mt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 125.311 2.481 . . . . 0.0 113.029 -153.239 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 121.824 0.821 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.294 0.3 OUTLIER 55.0 94.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.664 2.386 . . . . 0.0 114.512 173.277 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.389 9.3 mmmm 70.85 107.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 126.658 1.983 . . . . 0.0 114.416 154.362 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt 65.49 168.74 0.2 Allowed 'General case' 0 N--CA 1.521 3.101 1 CA-C-N 126.435 4.198 . . . . 0.0 110.756 -3.006 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -128.9 111.52 13.14 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -143.48 140.07 30.16 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -174.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -25.55 -10.95 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.106 1 N-CA-C 124.453 4.983 . . . . 0.0 124.453 134.258 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.516 1 N-CA-C 121.959 4.059 . . . . 0.0 121.959 -120.162 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 105.975 -2.85 . . . . 0.0 105.975 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -88.66 66.44 8.11 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.667 1.223 . . . . 0.0 111.84 -145.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -143.03 -77.57 0.24 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 116.739 -1.6 . . . . 0.0 108.548 -141.005 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.8 96.42 0.01 OUTLIER Glycine 0 CA--C 1.57 3.48 1 CA-C-O 112.241 -4.644 . . . . 0.0 113.775 -170.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.37 82.25 0.05 OUTLIER 'Cis proline' 0 C--N 1.386 2.51 1 CA-C-N 126.865 5.332 . . . . 0.0 113.931 14.006 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.02 -156.44 0.66 Allowed Glycine 1 CA--C 1.58 4.113 0 CA-C-O 114.575 -3.347 . . . . 0.0 118.662 166.028 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.77 169.74 31.43 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 125.094 4.447 . . . . 0.0 114.376 -8.835 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.85 -1.02 50.34 Favored 'General case' 0 N--CA 1.512 2.656 2 O-C-N 113.878 -5.514 . . . . 0.0 116.083 -2.621 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 125.15 2.405 . . . . 0.0 110.144 167.782 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.1 ttp -46.71 143.73 2.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.309 19.4 mmtp 54.35 72.16 0.47 Allowed 'General case' 0 CA--C 1.581 2.172 0 C-N-CA 126.98 2.112 . . . . 0.0 111.638 -176.289 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -46.88 142.31 3.5 Favored 'General case' 0 N--CA 1.5 2.025 2 O-C-N 113.655 -5.653 . . . . 0.0 119.12 14.552 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.484 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 78.3 p -143.22 -49.16 0.32 Allowed 'General case' 0 N--CA 1.495 1.775 2 CA-C-N 127.206 4.548 . . . . 0.0 113.269 -17.559 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' ' H ' ' A' ' 6' ' ' SER . 1.4 p90 -153.04 138.33 17.5 Favored 'General case' 0 N--CA 1.493 1.677 2 CA-C-N 131.138 6.335 . . . . 0.0 107.812 5.725 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.54 -14.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.994 1 N-CA-C 124.071 4.841 . . . . 0.0 124.071 146.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.63 0 N-CA-C 121.231 3.789 . . . . 0.0 121.231 -119.963 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.511 0 N-CA-C 117.635 1.814 . . . . 0.0 117.635 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.479 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -156.38 -22.63 0.1 Allowed 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.928 1.291 . . . . 0.0 112.223 -166.14 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG3' ' H ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -144.78 159.95 42.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 119.281 -2.137 . . . . 0.0 111.642 -93.47 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.23 65.79 1.26 Allowed Glycine 0 CA--C 1.562 3.011 1 CA-C-O 112.341 -4.588 . . . . 0.0 110.222 -167.608 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -75.88 136.26 43.89 Favored 'Cis proline' 0 C--N 1.392 2.849 1 CA-C-N 127.229 5.514 . . . . 0.0 113.358 6.58 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.3 -132.4 0.15 Allowed Glycine 0 CA--C 1.574 3.747 0 CA-C-O 113.71 -3.828 . . . . 0.0 114.387 -176.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.63 129.89 16.44 Favored 'Cis proline' 0 C--N 1.388 2.657 1 CA-C-N 125.828 4.814 . . . . 0.0 112.61 3.286 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -112.69 126.05 54.97 Favored 'General case' 0 N--CA 1.498 1.941 2 CA-C-N 127.595 4.725 . . . . 0.0 108.3 17.499 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.289 4.4 mp . . . . . 0 N--CA 1.5 2.043 0 C-N-CA 126.625 1.97 . . . . 0.0 111.861 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.5 2.027 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -100.79 118.21 36.43 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.56 -9.56 9.19 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 176.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.85 -48.57 75.27 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 124.411 1.084 . . . . 0.0 112.678 156.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -76.08 156.99 33.39 Favored 'General case' 0 CA--C 1.58 2.126 0 O-C-N 124.499 1.125 . . . . 0.0 113.94 154.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -84.64 146.28 27.56 Favored 'General case' 0 N--CA 1.494 1.764 2 O-C-N 115.051 -4.78 . . . . 0.0 112.844 -10.355 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 98.54 11.55 Favored 'General case' 0 N--CA 1.486 1.364 2 O-C-N 115.609 -4.432 . . . . 0.0 109.743 2.772 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-N 112.128 -2.306 . . . . 0.0 105.97 121.156 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 106.51 -2.636 . . . . 0.0 106.51 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -141.24 46.21 1.73 Allowed 'General case' 0 N--CA 1.513 2.687 0 CA-C-N 119.293 1.547 . . . . 0.0 112.111 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -153.39 -64.22 0.15 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.608 -163.533 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.44 70.08 1.34 Allowed Glycine 0 CA--C 1.558 2.773 1 CA-C-O 112.289 -4.617 . . . . 0.0 111.028 -176.789 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.42 146.63 69.14 Favored 'Cis proline' 0 C--N 1.388 2.632 1 CA-C-N 127.057 5.428 . . . . 0.0 114.231 -1.187 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.07 -150.96 12.19 Favored Glycine 0 CA--C 1.578 3.979 2 CA-C-N 128.611 5.187 . . . . 0.0 113.1 9.252 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -88.4 129.6 9.49 Favored 'Cis proline' 0 CA--C 1.581 2.829 1 CA-C-N 126.374 5.087 . . . . 0.0 113.135 -6.185 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -132.38 100.92 5.15 Favored 'General case' 0 N--CA 1.493 1.681 2 CA-C-N 128.817 5.281 . . . . 0.0 106.105 -0.222 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.333 8.4 mt . . . . . 0 N--CA 1.495 1.791 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.049 -171.195 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.503 2.203 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -124.86 154.49 40.96 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.225 1.012 . . . . 0.0 109.737 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.05 116.38 27.79 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 116.883 -1.532 . . . . 0.0 108.884 -140.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.01 151.46 51.73 Favored 'General case' 0 N--CA 1.5 2.054 2 CA-C-N 128.138 4.972 . . . . 0.0 108.2 -10.105 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.282 45.7 t 85.19 98.68 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 127.098 2.159 . . . . 0.0 105.887 -162.023 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.283 20.5 m-85 60.72 150.25 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 2 O-C-N 115.279 -4.638 . . . . 0.0 113.981 14.215 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.03 95.88 Favored 'General case' 0 CA--C 1.575 1.933 1 O-C-N 115.726 -4.359 . . . . 0.0 114.422 3.612 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.975 2 CA-C-N 128.464 5.12 . . . . 0.0 117.249 -10.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 121.231 0.351 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.47 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 166.512 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -103.32 -39.9 6.62 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 116.184 -1.865 . . . . 0.0 115.508 -165.603 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -64.13 2.95 Favored Glycine 0 CA--C 1.565 3.191 1 CA-C-O 112.969 -4.24 . . . . 0.0 115.106 -163.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -69.41 143.7 73.93 Favored 'Cis proline' 0 C--N 1.389 2.672 1 CA-C-N 126.324 5.062 . . . . 0.0 113.9 8.682 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.37 -169.73 16.56 Favored Glycine 0 CA--C 1.575 3.783 0 CA-C-O 115.687 -2.729 . . . . 0.0 116.435 -177.137 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.72 112.52 2.63 Favored 'Cis proline' 0 C--N 1.391 2.767 1 CA-C-N 124.525 4.162 . . . . 0.0 111.028 0.419 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.73 -29.28 0.17 Allowed 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 115.654 -2.117 . . . . 0.0 115.125 177.242 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 11.3 mt . . . . . 0 N--CA 1.502 2.133 0 CA-C-N 122.273 2.306 . . . . 0.0 106.526 -162.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -162.84 124.34 2.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.375 1.07 . . . . 0.0 109.554 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.321 0.0 OUTLIER 35.21 43.14 0.11 Allowed 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 121.562 3.912 . . . . 0.0 121.562 154.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -82.59 -45.11 15.0 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 123.979 0.912 . . . . 0.0 112.348 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.328 15.8 mt 66.4 59.24 0.65 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 127.308 2.243 . . . . 0.0 114.141 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -155.11 81.71 1.07 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 147.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.02 179.01 7.91 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.167 0.987 . . . . 0.0 109.317 -167.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -50.95 21.66 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 115.2 -2.333 . . . . 0.0 110.43 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.287 . . -89.98 -157.48 0.47 Allowed 'General case' 0 CA--C 1.563 1.459 2 CA-C-N 129.054 5.388 . . . . 0.0 109.301 -15.227 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -126.02 -42.74 1.86 Allowed 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -145.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.43 -20.21 0.69 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 -158.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.06 -48.66 9.67 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.112 -159.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.38 -51.25 0.27 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -144.09 75.22 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.81 1.644 . . . . 0.0 106.749 -152.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -115.98 122.84 46.44 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -133.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.82 73.6 1.23 Allowed Glycine 0 CA--C 1.561 2.927 1 CA-C-O 112.831 -4.316 . . . . 0.0 112.401 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.14 123.0 7.61 Favored 'Cis proline' 0 C--N 1.393 2.908 1 CA-C-N 126.524 5.162 . . . . 0.0 111.546 5.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.93 82.87 0.35 Allowed Glycine 0 N--CA 1.477 1.403 0 CA-C-O 113.568 -3.907 . . . . 0.0 111.748 -164.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -61.16 138.75 79.81 Favored 'Trans proline' 0 CA--C 1.579 2.744 1 CA-C-N 124.488 4.144 . . . . 0.0 115.557 166.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 62.29 1.27 Allowed 'General case' 0 N--CA 1.503 2.19 2 CA-C-N 128.174 4.988 . . . . 0.0 111.607 -0.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.918 2.295 . . . . 0.0 106.002 141.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 119.596 -0.24 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -132.43 87.71 2.45 Favored 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 104.083 -2.562 . . . . 0.0 104.083 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.8 tpt -149.71 138.18 20.73 Favored 'General case' 0 N--CA 1.498 1.926 2 O-C-N 114.56 -5.088 . . . . 0.0 107.085 -5.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -88.39 90.74 8.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.485 1.114 . . . . 0.0 108.715 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -145.15 -75.88 0.22 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.02 138.8 31.21 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 116.855 -1.545 . . . . 0.0 110.152 123.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.77 177.75 7.74 Favored 'General case' 0 CA--C 1.584 2.287 2 CA-C-N 128.632 5.196 . . . . 0.0 109.123 -6.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.453 HH21 HH11 ' A' ' 10' ' ' ARG . 6.7 ptt180 -23.17 -9.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.789 1 N-CA-C 124.24 4.904 . . . . 0.0 124.24 146.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.271 . . -82.02 -142.88 0.05 Allowed 'General case' 0 CA--C 1.568 1.641 0 O-C-N 118.388 -2.695 . . . . 0.0 114.657 -85.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.453 HH11 HH21 ' A' ' 8' ' ' ARG . 71.6 mtm180 -168.88 -39.67 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.278 0 C-N-CA 125.613 1.565 . . . . 0.0 108.54 -127.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.1 -15.76 0.68 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -130.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -135.51 -60.92 0.74 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.406 1.482 . . . . 0.0 109.51 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.1 118.92 3.57 Favored Glycine 0 C--N 1.362 2.012 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 166.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -88.39 63.01 6.9 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 122.433 1.111 . . . . 0.0 112.289 -147.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -151.66 -68.16 0.17 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 116.943 -1.503 . . . . 0.0 108.323 -160.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.98 79.5 0.85 Allowed Glycine 0 CA--C 1.56 2.858 1 CA-C-O 112.414 -4.548 . . . . 0.0 110.429 -175.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.06 157.31 97.51 Favored 'Cis proline' 0 C--N 1.385 2.457 1 CA-C-N 126.5 5.15 . . . . 0.0 114.336 13.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.82 -118.83 0.24 Allowed Glycine 0 CA--C 1.563 3.056 1 CA-C-O 112.269 -4.628 . . . . 0.0 113.208 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -64.9 148.4 72.18 Favored 'Cis proline' 0 C--N 1.39 2.753 1 CA-C-N 127.162 5.481 . . . . 0.0 117.208 13.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.11 -13.43 4.51 Favored 'General case' 0 N--CA 1.513 2.721 2 CA-C-N 127.166 4.53 . . . . 0.0 114.367 -7.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.364 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 126.888 2.075 . . . . 0.0 114.025 170.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p 49.2 113.41 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 126.816 2.046 . . . . 0.0 115.616 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.0 tpt 46.56 119.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 127.06 2.144 . . . . 0.0 115.241 171.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.347 11.1 mmpt? 68.63 89.51 0.1 Allowed 'General case' 0 CA--C 1.584 2.276 0 C-N-CA 126.89 2.076 . . . . 0.0 111.184 174.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -148.74 105.33 3.55 Favored 'General case' 0 N--CA 1.492 1.625 2 O-C-N 115.582 -4.449 . . . . 0.0 109.263 -4.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -156.57 57.13 0.56 Allowed 'General case' 0 CA--C 1.592 2.583 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 149.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.67 171.38 8.43 Favored 'General case' 0 N--CA 1.494 1.735 2 O-C-N 111.844 -6.785 . . . . 0.0 114.121 4.628 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -16.8 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.339 1 N-CA-C 122.279 4.177 . . . . 0.0 122.279 158.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 18.0 83.4 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -153.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.285 0.2 OUTLIER 46.35 -70.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 114.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.4 -73.65 0.66 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 114.479 -2.677 . . . . 0.0 112.111 -144.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.47 137.98 31.86 Favored 'General case' 0 N--CA 1.492 1.668 2 CA-C-N 132.217 6.826 . . . . 0.0 107.972 -6.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.4 116.37 0.67 Allowed Glycine 0 CA--C 1.546 2.018 0 CA-C-O 117.536 -1.702 . . . . 0.0 115.664 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -117.16 93.25 4.11 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 123.042 3.421 . . . . 0.0 106.544 -81.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.47 -26.8 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 C-N-CA 126.078 1.751 . . . . 0.0 115.17 -154.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.94 74.42 1.12 Allowed Glycine 0 CA--C 1.554 2.51 1 CA-C-O 112.724 -4.376 . . . . 0.0 106.149 -162.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -60.56 136.52 16.39 Favored 'Cis proline' 0 C--N 1.394 2.936 1 CA-C-N 126.261 5.031 . . . . 0.0 118.51 12.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.72 161.14 15.07 Favored Glycine 0 CA--C 1.569 3.443 0 CA-C-O 115.608 -2.773 . . . . 0.0 116.799 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -71.18 116.48 3.11 Favored 'Cis proline' 0 C--N 1.392 2.868 1 CA-C-N 125.088 4.444 . . . . 0.0 109.657 -9.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.316 0.0 OUTLIER 72.87 -41.46 0.5 Allowed 'General case' 0 N--CA 1.519 2.997 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 124.77 2.224 . . . . 0.0 111.477 174.321 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.256 22.7 t 66.33 89.21 0.1 Allowed 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 127.048 2.139 . . . . 0.0 110.935 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.448 ' H ' ' HA ' ' A' ' 21' ' ' LEU . 60.4 mmm -147.36 144.3 28.63 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.809 -160.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -74.55 -64.46 1.03 Allowed 'General case' 0 N--CA 1.504 2.273 2 O-C-N 114.968 -4.833 . . . . 0.0 109.9 -9.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -135.6 -64.55 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.012 1.278 . . . . 0.0 108.301 152.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -102.65 121.7 42.94 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 165.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.305 82.9 t80 -102.93 -101.22 0.29 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -136.27 -59.93 0.73 Allowed 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 115.64 -2.124 . . . . 0.0 105.856 -170.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.94 147.44 42.25 Favored 'General case' 0 N--CA 1.491 1.578 2 CA-C-N 128.921 5.328 . . . . 0.0 109.477 -6.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.39 -26.87 0.81 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -148.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.35 110.13 4.5 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.349 34.6 p90 49.66 73.75 0.23 Allowed 'General case' 0 CA--C 1.583 2.247 0 C-N-CA 125.748 1.619 . . . . 0.0 113.176 -162.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.45 -136.03 7.7 Favored Glycine 0 N--CA 1.485 1.927 2 O-C-N 114.702 -4.999 . . . . 0.0 111.287 10.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -143.72 14.49 1.75 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 124.854 1.262 . . . . 0.0 112.363 -157.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -139.78 -59.91 0.55 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 116.57 -1.681 . . . . 0.0 108.93 -127.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.81 104.85 0.92 Allowed Glycine 0 CA--C 1.556 2.61 1 CA-C-O 112.669 -4.406 . . . . 0.0 112.59 164.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -82.22 85.76 0.03 OUTLIER 'Cis proline' 0 C--N 1.39 2.732 1 CA-C-N 126.798 5.299 . . . . 0.0 110.245 -3.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.66 49.51 Favored Glycine 1 CA--C 1.578 4.012 0 CA-C-O 115.364 -2.909 . . . . 0.0 115.309 -175.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.45 155.32 70.96 Favored 'Cis proline' 0 C--N 1.386 2.546 1 CA-C-N 124.805 4.302 . . . . 0.0 116.405 -3.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.269 0.0 OUTLIER -91.11 -32.35 15.89 Favored 'General case' 0 N--CA 1.51 2.553 2 O-C-N 115.828 -4.295 . . . . 0.0 113.711 -6.897 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HA ' ' H ' ' A' ' 3' ' ' MET . 32.7 mt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 123.108 1.432 . . . . 0.0 112.375 -176.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 CA--C 1.558 1.271 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -155.67 134.89 12.25 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.116 1.366 . . . . 0.0 108.558 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.299 0.0 OUTLIER -63.21 169.69 3.38 Favored 'General case' 0 CA--C 1.576 1.973 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -173.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.278 10.6 mmpt? 65.97 42.14 3.44 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.721 1.608 . . . . 0.0 113.934 -161.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -151.17 -76.93 0.14 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 160.5 14.48 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.311 1.444 . . . . 0.0 109.2 158.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.31 26.48 Favored 'General case' 0 CA--C 1.584 2.272 0 C-N-CA 124.001 0.92 . . . . 0.0 112.063 -169.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -120.35 109.31 15.2 Favored 'General case' 0 C--N 1.366 1.312 2 O-C-N 113.538 -5.726 . . . . 0.0 110.014 12.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' H ' ' A' ' 11' ' ' ALA . . . -152.57 134.82 15.03 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 112.932 -1.94 . . . . 0.0 110.57 145.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.453 1.2 mmp_? 92.02 -69.06 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.634 3 O-C-N 113.115 -5.99 . . . . 0.0 112.157 1.391 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' H ' ' HB1' ' A' ' 9' ' ' ALA . . . -135.87 -38.56 0.71 Allowed 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -162.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.304 1.3 m-30 88.74 88.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 127.909 2.484 . . . . 0.0 111.189 162.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.47 56.16 0.05 OUTLIER Glycine 0 N--CA 1.493 2.461 0 N-CA-C 117.41 1.724 . . . . 0.0 117.41 156.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.25 0.0 OUTLIER -166.01 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 124.696 1.198 . . . . 0.0 109.911 -167.007 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -154.04 132.67 12.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.433 1.493 . . . . 0.0 107.15 -161.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.78 -65.66 0.38 Allowed Glycine 0 CA--C 1.562 2.981 1 CA-C-O 112.616 -4.436 . . . . 0.0 110.848 -172.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.71 144.93 75.45 Favored 'Cis proline' 0 C--N 1.388 2.658 1 CA-C-N 127.065 5.433 . . . . 0.0 112.946 6.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.7 -160.97 21.08 Favored Glycine 1 CA--C 1.579 4.044 0 CA-C-O 115.159 -3.023 . . . . 0.0 114.534 169.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -79.54 112.85 2.74 Favored 'Cis proline' 0 C--N 1.39 2.731 1 CA-C-N 125.63 4.715 . . . . 0.0 111.669 1.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.348 2.7 pm0 165.29 -50.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 127.495 2.318 . . . . 0.0 107.558 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.499 2.003 0 C-N-CA 125.173 1.389 . . . . 0.0 112.882 -175.146 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m 57.17 93.94 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 126.713 2.005 . . . . 0.0 113.54 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.261 0.4 OUTLIER 59.23 127.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 127.224 2.21 . . . . 0.0 112.856 178.048 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -153.99 -56.13 0.11 Allowed 'General case' 0 CA--C 1.579 2.065 0 CA-C-O 114.655 -2.593 . . . . 0.0 109.06 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.92 -87.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.86 2 CA-C-N 131.2 6.364 . . . . 0.0 107.245 7.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 t 23.35 67.49 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.889 2.922 . . . . 0.0 118.889 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.273 55.6 t80 -123.61 -121.22 0.27 Allowed 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 105.172 -2.159 . . . . 0.0 105.172 -166.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 0.76 0.1 Allowed 'General case' 0 CA--C 1.576 1.975 0 C-N-CA 127.53 2.332 . . . . 0.0 112.325 -164.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.37 26.2 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 117.036 2.236 . . . . 0.0 117.036 -121.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -158.55 -57.98 0.07 Allowed 'General case' 0 CA--C 1.572 1.807 0 CA-C-N 113.254 -1.793 . . . . 0.0 108.559 -125.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.87 57.36 1.46 Allowed 'General case' 0 CA--C 1.568 1.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.366 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -153.18 -64.94 0.15 Allowed 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 117.206 -1.378 . . . . 0.0 110.951 -167.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.74 110.79 0.24 Allowed Glycine 0 C--N 1.36 1.881 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 -158.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.04 109.25 21.08 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -129.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -150.55 89.53 1.57 Allowed 'General case' 0 N--CA 1.503 2.199 2 O-C-N 115.004 -4.81 . . . . 0.0 108.529 18.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.09 87.53 0.08 OUTLIER Glycine 0 CA--C 1.566 3.263 1 CA-C-O 112.136 -4.702 . . . . 0.0 114.868 168.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.3 152.49 96.23 Favored 'Cis proline' 0 C--N 1.386 2.502 1 CA-C-N 127.066 5.433 . . . . 0.0 113.097 3.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.17 -92.23 1.14 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 113.342 -4.032 . . . . 0.0 110.136 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.71 158.81 87.27 Favored 'Cis proline' 0 CA--C 1.573 2.466 1 CA-C-N 125.413 4.606 . . . . 0.0 114.894 1.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.262 0.7 OUTLIER -76.58 -52.34 9.91 Favored 'General case' 0 N--CA 1.511 2.612 1 O-C-N 115.758 -4.339 . . . . 0.0 112.145 14.799 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 124.443 2.068 . . . . 0.0 110.301 -169.011 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -138.42 68.82 1.38 Allowed 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 172.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 ttp -150.67 140.17 21.51 Favored 'General case' 0 N--CA 1.497 1.901 2 O-C-N 113.584 -5.698 . . . . 0.0 107.466 -9.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 66.48 87.0 0.13 Allowed 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 126.823 2.049 . . . . 0.0 108.683 -173.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.78 134.22 40.49 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.926 0.491 . . . . 0.0 110.545 -152.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 63.91 88.34 0.1 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 126.486 1.915 . . . . 0.0 111.136 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.276 79.9 t80 -111.44 -88.64 0.52 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -162.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -58.5 0.1 Allowed 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.229 -2.319 . . . . 0.0 107.001 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.54 143.87 51.02 Favored 'General case' 0 C--N 1.374 1.658 2 CA-C-N 129.523 5.601 . . . . 0.0 111.052 3.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.65 -34.4 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -139.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.09 -34.29 43.7 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -170.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 -47.43 0.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.835 1.654 . . . . 0.0 110.381 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.32 114.54 3.09 Favored Glycine 0 C--N 1.358 1.8 0 N-CA-C 106.886 -2.486 . . . . 0.0 106.886 168.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -83.52 47.41 1.27 Allowed 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -161.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -141.34 -62.6 0.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.557 -1.687 . . . . 0.0 110.843 -138.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.78 73.29 1.08 Allowed Glycine 0 CA--C 1.562 2.993 1 CA-C-O 112.539 -4.479 . . . . 0.0 112.651 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -69.93 156.82 93.06 Favored 'Cis proline' 0 C--N 1.389 2.671 1 CA-C-N 126.979 5.389 . . . . 0.0 114.16 2.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.51 -111.34 0.01 OUTLIER Glycine 0 CA--C 1.565 3.205 1 CA-C-O 112.033 -4.76 . . . . 0.0 114.387 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -75.86 153.85 98.1 Favored 'Cis proline' 0 CA--C 1.578 2.703 1 CA-C-N 127.526 5.663 . . . . 0.0 116.332 8.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.85 62.55 0.67 Allowed 'General case' 0 N--CA 1.511 2.603 2 CA-C-N 127.871 4.85 . . . . 0.0 108.531 -6.527 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.28 19.9 mt . . . . . 0 N--CA 1.499 1.99 0 C-N-CA 126.502 1.921 . . . . 0.0 112.55 -164.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 56.52 114.58 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 126.774 2.03 . . . . 0.0 113.927 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.552 ' H ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mmm -143.44 132.96 23.54 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.862 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 22.66 14.07 Favored 'General case' 0 CA--C 1.597 2.781 2 O-C-N 114.35 -5.219 . . . . 0.0 115.129 12.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.48 160.88 14.56 Favored 'General case' 0 N--CA 1.489 1.487 2 O-C-N 110.329 -7.732 . . . . 0.0 108.849 5.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p 74.95 116.88 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 127.14 2.176 . . . . 0.0 111.07 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -130.18 -81.77 0.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.351 1.032 . . . . 0.0 108.39 -165.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 31.2 ptt180 147.47 -57.95 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 C-N-CA 126.098 1.759 . . . . 0.0 106.697 -132.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 47.63 101.83 0.01 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.162 2.985 . . . . 0.0 116.499 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.96 -30.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 111.842 -2.435 . . . . 0.0 113.733 -148.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.43 -17.37 18.82 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.685 2.106 . . . . 0.0 116.685 167.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -114.31 -49.34 2.84 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.773 1.629 . . . . 0.0 112.231 -169.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.73 116.98 0.75 Allowed Glycine 0 C--N 1.361 1.953 0 N-CA-C 106.314 -2.715 . . . . 0.0 106.314 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.74 71.26 4.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.513 1.149 . . . . 0.0 110.453 -139.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -145.31 -70.54 0.27 Allowed 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.059 -141.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.94 93.15 0.06 OUTLIER Glycine 0 CA--C 1.565 3.158 1 CA-C-O 112.263 -4.632 . . . . 0.0 113.648 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.54 78.6 0.09 OUTLIER 'Cis proline' 0 C--N 1.389 2.693 1 CA-C-N 126.965 5.383 . . . . 0.0 113.637 5.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.5 -148.72 50.5 Favored Glycine 0 CA--C 1.573 3.699 0 CA-C-O 114.48 -3.4 . . . . 0.0 118.083 165.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.28 150.35 79.49 Favored 'Cis proline' 0 C--N 1.391 2.765 1 CA-C-N 124.708 4.254 . . . . 0.0 114.892 3.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.49 3.49 2.8 Favored 'General case' 0 N--CA 1.516 2.837 2 O-C-N 115.316 -4.615 . . . . 0.0 115.347 5.6 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' H ' ' A' ' 3' ' ' MET 0.377 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.452 0 C-N-CA 125.911 1.685 . . . . 0.0 114.947 165.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -129.19 -53.18 1.19 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 117.588 -1.196 . . . . 0.0 113.157 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -12.38 152.83 0.0 OUTLIER 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 121.569 3.915 . . . . 0.0 121.569 166.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -85.39 96.27 9.51 Favored 'General case' 0 N--CA 1.496 1.87 2 CA-C-N 128.032 4.924 . . . . 0.0 106.825 -11.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 tp -125.96 -76.52 0.58 Allowed 'General case' 0 CA--C 1.561 1.366 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -136.46 119.65 16.65 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 161.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -106.13 154.15 21.07 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.97 29.11 0.21 Allowed 'General case' 0 N--CA 1.511 2.582 1 O-C-N 115.626 -4.421 . . . . 0.0 113.194 -8.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.01 95.77 0.29 Allowed 'General case' 0 CA--C 1.575 1.927 0 O-C-N 116.918 -3.614 . . . . 0.0 116.249 -91.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.17 106.74 4.08 Favored 'General case' 0 N--CA 1.488 1.433 1 O-C-N 116.053 -4.154 . . . . 0.0 107.005 -12.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.252 . . 61.5 94.11 0.04 OUTLIER 'General case' 0 CA--C 1.577 2.016 0 C-N-CA 127.326 2.251 . . . . 0.0 114.891 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.77 88.92 5.12 Favored 'General case' 0 N--CA 1.494 1.762 1 O-C-N 114.743 -4.973 . . . . 0.0 106.127 -38.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.58 -171.76 14.01 Favored Glycine 0 CA--C 1.568 3.396 0 CA-C-O 118.571 -1.127 . . . . 0.0 115.673 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.4 71.08 1.26 Allowed 'General case' 0 N--CA 1.509 2.492 2 CA-C-N 126.529 5.164 . . . . 0.0 109.702 11.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -149.47 -46.92 0.14 Allowed 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.931 -150.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.38 97.53 Favored Glycine 0 CA--C 1.573 3.714 1 CA-C-O 111.626 -4.986 . . . . 0.0 118.794 -169.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.89 145.79 85.0 Favored 'Cis proline' 0 C--N 1.392 2.842 1 CA-C-N 128.558 6.179 . . . . 0.0 113.369 13.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.82 165.62 12.06 Favored Glycine 0 CA--C 1.575 3.801 0 CA-C-O 115.743 -2.698 . . . . 0.0 116.279 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.63 128.75 16.35 Favored 'Cis proline' 0 C--N 1.393 2.881 1 CA-C-N 124.209 4.005 . . . . 0.0 111.036 6.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 0.0 OUTLIER -131.93 -46.28 0.94 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 125.134 1.521 . . . . 0.0 111.161 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 125.014 2.34 . . . . 0.0 111.044 173.439 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t 49.63 99.15 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 126.752 2.021 . . . . 0.0 115.452 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.0 mmm -140.36 123.02 16.28 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.426 -1.273 . . . . 0.0 108.026 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -76.22 -59.01 2.95 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 114.447 -5.158 . . . . 0.0 110.869 -4.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -146.28 -55.51 0.27 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 121.594 1.997 . . . . 0.0 112.527 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -89.38 -61.68 1.65 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.94 -161.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.312 55.8 t80 -124.49 -89.95 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 2 CA-C-N 130.692 6.133 . . . . 0.0 106.608 -2.058 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -147.2 -62.59 0.28 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -167.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.08 164.51 17.6 Favored 'General case' 0 N--CA 1.492 1.636 2 CA-C-N 129.218 5.463 . . . . 0.0 110.452 -6.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -132.59 -36.1 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.885 -150.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.71 -4.05 13.46 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -163.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -152.02 -56.0 0.14 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.448 2.299 . . . . 0.0 109.776 -164.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.08 112.3 2.27 Favored Glycine 0 C--N 1.361 1.922 0 N-CA-C 105.436 -3.066 . . . . 0.0 105.436 167.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -85.79 52.09 2.38 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-O 123.384 1.564 . . . . 0.0 113.078 -162.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER 176.23 -49.9 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 124.869 1.268 . . . . 0.0 110.857 -140.011 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.93 -146.89 17.57 Favored Glycine 0 CA--C 1.56 2.876 0 CA-C-O 114.782 -3.232 . . . . 0.0 110.358 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -72.34 107.04 2.18 Favored 'Trans proline' 0 C--N 1.39 2.737 1 CA-C-N 127.044 5.422 . . . . 0.0 113.286 -161.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.67 -143.85 6.32 Favored Glycine 0 CA--C 1.574 3.755 2 CA-C-N 128.613 5.188 . . . . 0.0 111.656 4.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -69.87 151.83 92.06 Favored 'Cis proline' 0 C--N 1.386 2.533 1 CA-C-N 125.382 4.591 . . . . 0.0 114.931 -5.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -37.81 12.49 Favored 'General case' 0 N--CA 1.524 3.249 2 O-C-N 115.514 -4.492 . . . . 0.0 112.962 -10.303 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 124.926 2.298 . . . . 0.0 110.155 -169.836 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m 57.57 135.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 127.428 2.291 . . . . 0.0 113.791 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.355 1.5 tpt -80.79 -68.15 0.71 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 117.515 -1.231 . . . . 0.0 111.147 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.7 -9.63 21.32 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 169.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.307 11.6 mt 66.09 67.21 0.47 Allowed 'General case' 0 N--CA 1.509 2.5 0 C-N-CA 127.473 2.309 . . . . 0.0 112.409 -169.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -159.98 -172.89 3.81 Favored 'General case' 0 CA--C 1.601 2.921 0 CA-C-N 112.159 -2.291 . . . . 0.0 107.499 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.06 -67.5 0.84 Allowed 'General case' 0 N--CA 1.493 1.711 2 O-C-N 110.847 -7.408 . . . . 0.0 109.453 -9.386 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -65.36 0.09 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 101.978 -3.342 . . . . 0.0 101.978 -153.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.08 169.26 13.58 Favored 'General case' 0 C--N 1.376 1.753 2 CA-C-N 129.437 5.562 . . . . 0.0 113.018 2.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 -31.76 0.16 Allowed 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 125.412 1.485 . . . . 0.0 114.608 -142.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.17 117.8 13.93 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.338 20.0 p90 47.39 80.27 0.05 Allowed 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 126.007 1.723 . . . . 0.0 113.268 -164.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.14 -131.44 6.08 Favored Glycine 0 N--CA 1.483 1.806 2 O-C-N 114.784 -4.947 . . . . 0.0 108.57 -3.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' H ' ' HD2' ' A' ' 15' ' ' ARG . 5.6 m-85 -140.24 43.93 1.89 Allowed 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.645 0.778 . . . . 0.0 110.79 -165.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HD2' ' H ' ' A' ' 14' ' ' PHE 0.274 0.0 OUTLIER -143.72 -74.22 0.26 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 116.537 -1.697 . . . . 0.0 108.945 -155.998 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.4 109.09 0.1 Allowed Glycine 0 CA--C 1.565 3.186 1 CA-C-O 111.523 -5.043 . . . . 0.0 112.467 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -88.0 157.87 43.58 Favored 'Cis proline' 0 C--N 1.388 2.607 1 CA-C-N 128.12 5.96 . . . . 0.0 114.065 2.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.99 -166.59 34.7 Favored Glycine 0 CA--C 1.576 3.845 0 CA-C-O 115.276 -2.958 . . . . 0.0 114.37 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -108.3 16.19 0.1 Allowed 'Trans proline' 0 CA--C 1.601 3.874 1 CA-C-N 125.253 4.526 . . . . 0.0 121.98 159.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.468 0.2 OUTLIER 64.63 -55.75 0.27 Allowed 'General case' 0 N--CA 1.496 1.834 2 CA-C-N 133.954 7.615 . . . . 0.0 115.217 19.131 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 5.5 mp . . . . . 0 N--CA 1.497 1.896 0 C-N-CA 128.296 2.638 . . . . 0.0 113.789 171.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' H ' HE22 ' A' ' 20' ' ' GLN . 15.2 t 61.51 134.42 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 126.495 1.918 . . . . 0.0 113.197 177.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.9 ptm -65.49 153.41 41.48 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 117.101 2.259 . . . . 0.0 117.101 -170.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.58 100.3 10.14 Favored 'General case' 0 N--CA 1.493 1.709 2 CA-C-N 127.679 4.763 . . . . 0.0 104.964 -18.233 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -139.86 -72.13 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -94.1 123.22 37.34 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 116.379 -1.772 . . . . 0.0 107.69 150.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -142.8 -85.02 0.16 Allowed 'General case' 0 N--CA 1.496 1.859 2 CA-C-N 128.549 5.159 . . . . 0.0 110.42 -0.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 13.77 0.95 Allowed 'General case' 0 CA--C 1.591 2.549 0 C-N-CA 126.855 2.062 . . . . 0.0 113.508 -166.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.265 . . -81.28 179.55 7.8 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 117.371 -3.331 . . . . 0.0 116.058 -83.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -172.69 -49.33 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.922 0 CA-C-N 114.332 -1.303 . . . . 0.0 109.654 -105.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.91 108.57 3.66 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.312 23.3 p90 47.93 93.22 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.291 0 C-N-CA 125.972 1.709 . . . . 0.0 114.697 -165.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.49 155.39 26.98 Favored Glycine 0 N--CA 1.489 2.205 2 O-C-N 114.454 -5.154 . . . . 0.0 109.749 -12.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.59 52.19 2.4 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.944 1.354 . . . . 0.0 112.08 -165.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HD3' ' H ' ' A' ' 16' ' ' GLY 0.348 0.0 OUTLIER 177.71 -64.9 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 116.417 -1.754 . . . . 0.0 108.447 -146.079 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.413 ' H ' ' HD3' ' A' ' 15' ' ' ARG . . . 86.82 96.82 0.84 Allowed Glycine 0 CA--C 1.556 2.619 1 CA-C-O 111.936 -4.813 . . . . 0.0 113.22 171.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.39 150.59 37.51 Favored 'Cis proline' 0 CA--C 1.58 2.822 1 CA-C-N 127.656 5.728 . . . . 0.0 113.783 -7.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.61 -153.16 24.55 Favored Glycine 1 CA--C 1.579 4.079 2 CA-C-N 129.728 5.695 . . . . 0.0 112.559 1.227 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.48 135.49 15.85 Favored 'Cis proline' 0 C--N 1.392 2.83 1 CA-C-N 125.028 4.414 . . . . 0.0 114.307 -1.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.437 HE22 ' H ' ' A' ' 2' ' ' SER 0.265 1.1 pp0? -160.55 -15.86 0.05 Allowed 'General case' 0 N--CA 1.524 3.26 1 CA-C-N 126.632 4.287 . . . . 0.0 115.814 2.706 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 122.976 1.37 . . . . 0.0 113.701 -176.817 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 51.99 114.41 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.04 2.136 . . . . 0.0 114.846 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.2 mmm -124.48 134.27 53.09 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.34 -174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.78 57.67 0.91 Allowed 'General case' 0 CA--C 1.592 2.585 2 O-C-N 114.245 -5.285 . . . . 0.0 110.225 16.071 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.59 -34.97 67.78 Favored 'General case' 0 N--CA 1.506 2.374 2 O-C-N 111.012 -7.305 . . . . 0.0 113.759 -11.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -74.76 115.12 13.98 Favored 'General case' 0 CA--C 1.578 2.02 0 CA-C-O 116.803 -1.57 . . . . 0.0 109.859 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.38 -68.99 0.46 Allowed 'General case' 0 N--CA 1.493 1.721 2 CA-C-N 128.56 5.164 . . . . 0.0 111.665 7.597 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -127.26 -145.03 0.31 Allowed 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 -150.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.29 101.05 0.95 Allowed 'General case' 0 CA--C 1.568 1.635 0 O-C-N 116.778 -3.701 . . . . 0.0 106.265 98.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.92 94.9 2.95 Favored 'General case' 0 C--N 1.364 1.214 2 O-C-N 114.639 -5.038 . . . . 0.0 107.549 -8.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.284 . . 63.6 100.29 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.807 2.443 . . . . 0.0 114.76 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -90.94 133.52 35.2 Favored 'General case' 0 N--CA 1.499 1.998 2 O-C-N 115.136 -4.727 . . . . 0.0 106.992 -33.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.83 127.76 8.69 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.643 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -89.37 41.99 1.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 123.437 1.589 . . . . 0.0 110.946 168.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -164.39 -51.98 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 117.325 -1.321 . . . . 0.0 108.91 -125.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.09 -45.93 56.55 Favored Glycine 0 CA--C 1.574 3.771 1 CA-C-O 112.057 -4.746 . . . . 0.0 118.475 -177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -69.24 147.6 83.87 Favored 'Cis proline' 0 C--N 1.393 2.871 1 CA-C-N 128.194 5.997 . . . . 0.0 114.163 8.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.09 -152.45 5.93 Favored Glycine 0 CA--C 1.573 3.695 0 CA-C-O 115.077 -3.068 . . . . 0.0 115.128 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.66 111.4 1.42 Allowed 'Cis proline' 0 C--N 1.393 2.902 1 CA-C-N 124.875 4.338 . . . . 0.0 111.232 6.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -44.9 3.36 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.82 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.492 1.646 0 CA-C-N 120.074 1.306 . . . . 0.0 109.795 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 20' ' ' GLN . 93.5 p -138.31 151.02 47.19 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.178 0.991 . . . . 0.0 112.677 174.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.332 0.0 OUTLIER -126.35 -58.93 1.33 Allowed 'General case' 0 N--CA 1.508 2.437 2 O-C-N 113.644 -5.66 . . . . 0.0 112.796 12.654 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 108.01 20.17 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 172.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.84 136.93 38.15 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.026 0.53 . . . . 0.0 111.194 -146.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t 62.0 96.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 126.918 2.087 . . . . 0.0 111.013 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.351 86.6 t80 -111.09 -112.07 0.33 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 116.357 -1.783 . . . . 0.0 108.427 -154.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -137.94 -62.17 0.6 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 115.604 -2.141 . . . . 0.0 106.185 -160.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.21 142.81 50.75 Favored 'General case' 0 N--CA 1.489 1.496 2 CA-C-N 129.1 5.409 . . . . 0.0 111.649 0.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.63 -38.51 0.08 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.37 -140.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.72 145.66 51.11 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.457 1.903 . . . . 0.0 107.21 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.4 45.3 p90 61.02 -58.03 0.09 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.33 104.01 1.85 Allowed Glycine 0 C--N 1.353 1.502 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 163.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.15 21.09 0.94 Allowed 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -166.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -146.87 -63.99 0.29 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 116.542 -1.694 . . . . 0.0 109.437 -134.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.03 81.61 0.77 Allowed Glycine 0 CA--C 1.565 3.178 1 CA-C-O 111.989 -4.784 . . . . 0.0 111.248 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -91.78 109.14 0.87 Allowed 'Cis proline' 0 C--N 1.389 2.681 1 CA-C-N 127.479 5.639 . . . . 0.0 113.865 7.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.52 30.61 Favored Glycine 0 CA--C 1.57 3.525 0 CA-C-O 115.211 -2.994 . . . . 0.0 119.086 150.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.93 117.86 5.03 Favored 'Cis proline' 0 CA--C 1.58 2.799 0 CA-C-N 124.175 3.988 . . . . 0.0 112.859 8.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HB3' ' H ' ' A' ' 2' ' ' SER . 5.3 mm-40 -114.81 145.86 41.67 Favored 'General case' 0 N--CA 1.5 2.035 2 CA-C-N 128.613 5.188 . . . . 0.0 109.618 -4.143 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.266 13.7 mt . . . . . 0 N--CA 1.508 2.469 0 C-N-CA 126.648 1.979 . . . . 0.0 113.585 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m 53.35 81.87 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 126.62 1.968 . . . . 0.0 113.989 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.9 tpt -87.86 138.96 31.0 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.459 0.704 . . . . 0.0 110.149 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 101.93 10.23 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 -163.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 mt -145.15 -92.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 102.007 -3.331 . . . . 0.0 102.007 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -175.03 115.46 0.16 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 121.152 1.796 . . . . 0.0 107.308 147.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -140.68 -57.85 0.52 Allowed 'General case' 0 N--CA 1.502 2.139 2 O-C-N 114.82 -4.925 . . . . 0.0 109.65 -17.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -7.81 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 121.742 3.979 . . . . 0.0 121.742 98.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.87 -41.77 20.51 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.231 -2.319 . . . . 0.0 117.01 -149.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -148.02 -146.75 0.2 Allowed 'General case' 0 N--CA 1.499 2.005 2 CA-C-N 129.659 5.663 . . . . 0.0 111.784 4.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.28 . . 75.56 -33.06 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -66.37 -42.89 87.33 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 145.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -174.81 42.95 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 122.677 1.154 . . . . 0.0 111.179 154.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -144.21 -8.55 0.69 Allowed 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 113.56 -1.32 . . . . 0.0 114.337 -169.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 -49.37 0.28 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.077 1.351 . . . . 0.0 111.252 -168.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 73.4 1.27 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 112.322 -4.599 . . . . 0.0 108.944 -174.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.89 153.38 97.43 Favored 'Cis proline' 0 C--N 1.388 2.633 1 CA-C-N 126.667 5.233 . . . . 0.0 114.031 12.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.65 -94.38 0.56 Allowed Glycine 0 CA--C 1.557 2.672 1 CA-C-O 112.892 -4.282 . . . . 0.0 113.76 -165.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.89 139.98 62.53 Favored 'Cis proline' 0 CA--C 1.579 2.749 1 CA-C-N 126.021 4.91 . . . . 0.0 114.179 10.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -113.44 85.74 2.25 Favored 'General case' 0 N--CA 1.503 2.177 2 CA-C-N 128.255 5.025 . . . . 0.0 108.887 0.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.312 14.5 mt . . . . . 0 N--CA 1.501 2.088 0 C-N-CA 126.628 1.971 . . . . 0.0 111.764 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.558 1.259 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.463 ' H ' HD12 ' A' ' 5' ' ' LEU . 39.1 t -135.8 66.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 119.981 1.264 . . . . 0.0 111.621 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.322 13.0 ptm 59.5 139.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.378 1.871 . . . . 0.0 114.623 171.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? 51.03 64.96 1.62 Allowed 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 125.979 1.712 . . . . 0.0 114.03 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 2' ' ' SER . 18.4 mt -146.35 -68.55 0.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 117.812 -1.09 . . . . 0.0 108.68 -174.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -108.86 -51.41 2.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.876 1.27 . . . . 0.0 112.749 174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.325 0.1 OUTLIER 65.09 147.44 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.745 1.618 . . . . 0.0 114.741 166.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -69.93 -51.77 30.05 Favored 'General case' 0 N--CA 1.5 2.027 2 O-C-N 115.727 -4.358 . . . . 0.0 111.461 13.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.63 38.88 1.06 Allowed 'General case' 0 N--CA 1.496 1.847 2 CA-C-N 128.622 5.192 . . . . 0.0 113.942 -19.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.97 162.54 26.55 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 119.662 -1.898 . . . . 0.0 112.638 -114.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.273 . . -177.14 92.37 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 109.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -146.03 92.28 2.18 Favored 'General case' 0 N--CA 1.498 1.959 2 O-C-N 114.012 -5.43 . . . . 0.0 104.869 -7.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.72 -29.8 0.07 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 122.481 3.752 . . . . 0.0 122.481 -168.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -16.69 5.1 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -145.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -130.61 -47.36 1.06 Allowed 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.97 -144.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.57 89.5 Favored Glycine 0 CA--C 1.571 3.589 1 CA-C-O 111.412 -5.105 . . . . 0.0 118.143 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.14 147.08 82.18 Favored 'Cis proline' 0 C--N 1.391 2.795 1 CA-C-N 128.64 6.22 . . . . 0.0 114.03 16.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.46 -179.29 23.91 Favored Glycine 1 CA--C 1.579 4.061 0 CA-C-O 115.563 -2.799 . . . . 0.0 115.582 172.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -77.59 134.06 33.11 Favored 'Cis proline' 0 C--N 1.394 2.956 1 CA-C-N 125.415 4.608 . . . . 0.0 111.703 4.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.359 0.0 OUTLIER 150.38 -56.22 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 127.006 2.122 . . . . 0.0 107.384 -168.231 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 125.146 2.403 . . . . 0.0 106.04 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -161.38 79.87 0.59 Allowed 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.692 1.197 . . . . 0.0 109.135 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.25 17.2 ttp 51.31 152.81 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 127.141 2.176 . . . . 0.0 115.314 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? 54.67 78.8 0.16 Allowed 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 126.339 1.856 . . . . 0.0 112.679 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.38 -107.37 0.1 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -152.78 84.17 1.23 Allowed 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 103.703 -2.703 . . . . 0.0 103.703 148.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.358 53.3 t80 71.66 143.06 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 2 O-C-N 114.231 -5.293 . . . . 0.0 110.916 11.008 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.95 -59.51 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 CA-C-N 110.792 -2.913 . . . . 0.0 104.844 -142.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.374 . . 55.23 65.76 1.4 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 127.54 2.336 . . . . 0.0 116.269 -172.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.342 0.1 OUTLIER 58.09 -123.4 1.47 Allowed 'General case' 0 N--CA 1.516 2.863 0 O-C-N 118.827 -2.42 . . . . 0.0 111.055 83.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.368 . . 138.55 97.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 106.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -141.73 130.14 22.46 Favored 'General case' 0 N--CA 1.496 1.828 2 O-C-N 114.394 -5.191 . . . . 0.0 109.183 -5.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.78 40.31 0.57 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 118.535 2.174 . . . . 0.0 118.535 172.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.98 -48.03 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 119.005 1.403 . . . . 0.0 111.374 -165.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -116.66 -52.02 2.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.808 -1.568 . . . . 0.0 112.882 -153.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.25 -38.6 41.02 Favored Glycine 1 CA--C 1.579 4.039 1 CA-C-O 111.065 -5.297 . . . . 0.0 118.88 -178.702 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.15 152.57 18.86 Favored 'Cis proline' 0 C--N 1.393 2.903 1 CA-C-N 129.971 6.885 . . . . 0.0 114.764 -2.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.78 152.0 7.77 Favored Glycine 0 CA--C 1.568 3.345 0 CA-C-O 114.41 -3.439 . . . . 0.0 116.812 160.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -78.41 92.03 1.16 Allowed 'Trans proline' 0 C--N 1.398 3.159 1 CA-C-N 125.952 4.876 . . . . 0.0 110.891 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.357 3.5 pp0? 156.46 -53.08 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 126.658 1.983 . . . . 0.0 107.375 -152.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.367 1.356 0 CA-C-O 124.167 1.937 . . . . 0.0 106.098 169.673 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -156.83 81.72 0.94 Allowed 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.62 1.168 . . . . 0.0 108.395 170.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.291 11.6 ttt 52.04 141.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.03 2.132 . . . . 0.0 115.621 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.267 65.5 mmtt 47.98 66.68 0.98 Allowed 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 126.721 2.008 . . . . 0.0 115.082 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.6 -65.34 0.29 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.618 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -105.47 -52.85 2.75 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 116.423 -1.751 . . . . 0.0 113.271 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.25 0.5 OUTLIER 62.94 158.12 0.07 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 121.979 2.172 . . . . 0.0 113.808 167.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -96.45 111.17 23.37 Favored 'General case' 0 N--CA 1.478 0.945 2 O-C-N 114.039 -5.413 . . . . 0.0 109.464 11.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.82 120.71 12.76 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.088 137.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -90.09 -16.06 30.42 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 111.796 -2.456 . . . . 0.0 113.401 169.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.02 -42.37 2.94 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 114.332 -2.747 . . . . 0.0 115.82 -124.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.39 140.07 37.32 Favored 'General case' 0 N--CA 1.494 1.749 2 CA-C-N 131.951 6.705 . . . . 0.0 110.822 11.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.89 56.08 0.76 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 117.417 1.727 . . . . 0.0 117.417 168.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -152.16 -19.41 0.18 Allowed 'General case' 0 N--CA 1.511 2.597 0 C-N-CA 124.707 1.203 . . . . 0.0 114.067 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -149.28 -46.03 0.14 Allowed 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 125.354 1.462 . . . . 0.0 112.879 -140.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.27 -56.23 26.37 Favored Glycine 0 CA--C 1.571 3.567 1 CA-C-O 112.34 -4.589 . . . . 0.0 115.583 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.3 146.17 76.6 Favored 'Cis proline' 0 C--N 1.387 2.573 1 CA-C-N 127.075 5.437 . . . . 0.0 112.772 -0.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.26 126.05 0.83 Allowed Glycine 0 CA--C 1.554 2.495 1 CA-C-O 113.006 -4.219 . . . . 0.0 114.436 172.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.76 76.84 3.18 Favored 'Trans proline' 0 C--N 1.391 2.795 1 CA-C-N 126.15 4.975 . . . . 0.0 113.323 168.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.339 3.0 pm0 163.19 -49.28 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 127.949 2.499 . . . . 0.0 107.769 -167.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 124.601 2.143 . . . . 0.0 110.962 -178.344 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.556 1.201 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.413 ' H ' HD12 ' A' ' 5' ' ' LEU . 65.4 m -139.83 80.9 1.79 Allowed 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 120.285 1.402 . . . . 0.0 109.749 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.318 0.2 OUTLIER 52.56 121.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 127.594 2.358 . . . . 0.0 115.201 172.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.268 47.8 mmtt 41.1 68.49 0.43 Allowed 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 126.933 2.093 . . . . 0.0 115.842 -173.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 2' ' ' SER . 12.0 mt -144.78 -74.79 0.24 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -149.17 113.39 5.21 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 163.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.27 6.9 t80 67.48 100.36 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 2 O-C-N 114.038 -5.414 . . . . 0.0 109.696 6.008 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.25 85.27 7.24 Favored 'General case' 0 N--CA 1.487 1.408 2 O-C-N 114.611 -5.056 . . . . 0.0 113.235 10.512 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.29 131.54 50.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.062 107.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.425 HH21 HH22 ' A' ' 15' ' ' ARG . 0.0 OUTLIER -155.4 -16.66 0.11 Allowed 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 125.746 1.618 . . . . 0.0 114.955 -177.524 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' H ' HH12 ' A' ' 15' ' ' ARG . . . -95.93 118.97 33.59 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 154.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -87.53 115.18 24.78 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.775 -146.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.45 58.8 0.89 Allowed Glycine 0 N--CA 1.488 2.149 0 N-CA-C 117.091 1.597 . . . . 0.0 117.091 155.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.6 -67.29 0.12 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -176.067 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.453 HH12 ' H ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -97.33 145.58 25.98 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.142 1.377 . . . . 0.0 109.383 162.352 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.41 -74.92 0.2 Allowed Glycine 0 CA--C 1.553 2.419 1 CA-C-O 113.026 -4.208 . . . . 0.0 108.361 175.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -72.63 146.36 86.39 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 126.136 4.968 . . . . 0.0 113.287 0.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.21 -149.86 5.1 Favored Glycine 0 CA--C 1.571 3.55 0 CA-C-O 114.533 -3.371 . . . . 0.0 115.329 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -78.4 134.45 33.5 Favored 'Cis proline' 0 C--N 1.39 2.739 1 CA-C-N 125.581 4.691 . . . . 0.0 112.595 5.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -164.26 -37.95 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.958 1.703 . . . . 0.0 111.863 166.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 122.881 1.324 . . . . 0.0 109.21 -165.452 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -152.22 144.47 23.95 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.898 1.279 . . . . 0.0 109.796 -176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -77.24 148.5 35.76 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.349 1.06 . . . . 0.0 113.258 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.36 64.3 mmtt 52.59 77.19 0.16 Allowed 'General case' 0 CA--C 1.581 2.173 0 C-N-CA 127.49 2.316 . . . . 0.0 114.767 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.15 138.77 42.25 Favored 'General case' 0 N--CA 1.494 1.746 1 O-C-N 115.218 -4.676 . . . . 0.0 110.625 -9.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -133.12 134.82 44.72 Favored 'General case' 0 N--CA 1.494 1.767 2 CA-C-N 129.176 5.444 . . . . 0.0 107.765 -8.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.8 -55.13 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 1 O-C-N 114.961 -4.837 . . . . 0.0 114.403 55.358 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.342 0.0 OUTLIER 151.72 -50.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 127.864 2.466 . . . . 0.0 105.763 -137.573 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.69 113.02 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 C-N-CA 128.688 2.795 . . . . 0.0 113.437 -160.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.55 -33.96 0.42 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.477 -2.147 . . . . 0.0 113.514 -160.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.263 . . -118.58 -78.15 0.58 Allowed 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 164.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 157.19 29.71 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 149.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.73 52.35 0.64 Allowed Glycine 0 N--CA 1.497 2.745 2 O-C-N 114.328 -5.233 . . . . 0.0 115.099 -5.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 13.2 m-85 55.1 42.19 31.01 Favored 'General case' 0 CA--C 1.59 2.513 0 C-N-CA 126.884 2.073 . . . . 0.0 114.879 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -152.19 115.8 4.81 Favored 'General case' 0 N--CA 1.497 1.875 2 O-C-N 112.223 -6.548 . . . . 0.0 106.879 -8.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.24 80.46 0.88 Allowed Glycine 0 CA--C 1.559 2.842 1 CA-C-O 112.61 -4.439 . . . . 0.0 113.454 147.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -60.57 147.99 46.21 Favored 'Cis proline' 0 C--N 1.392 2.865 1 CA-C-N 126.459 5.129 . . . . 0.0 114.864 4.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.89 0.17 Allowed Glycine 0 CA--C 1.568 3.405 1 CA-C-O 112.894 -4.281 . . . . 0.0 115.982 -162.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.419 1.3 Cg_exo 11.51 -97.76 0.0 OUTLIER 'Cis proline' 0 C--N 1.389 2.661 2 CA-C-N 128.225 6.013 . . . . 0.0 123.085 27.131 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.259 1.8 pm0 -133.84 -47.7 0.8 Allowed 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 122.106 2.23 . . . . 0.0 115.04 -165.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.579 1.657 . . . . 0.0 107.717 -178.834 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -167.51 130.86 1.72 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.6 ptm -31.06 145.58 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.225 0 N-CA-C 119.976 3.324 . . . . 0.0 119.976 -172.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.274 10.6 mmpt? 66.08 81.6 0.2 Allowed 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 127.019 2.128 . . . . 0.0 111.198 -178.064 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.7 mt -146.85 -73.98 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -178.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -138.5 -54.31 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.427 1.491 . . . . 0.0 112.032 167.173 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.383 0.0 OUTLIER 66.69 159.45 0.14 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 123.4 1.571 . . . . 0.0 114.333 144.5 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -48.59 0.7 Allowed 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.5 173.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.5 144.17 0.56 Allowed 'General case' 0 C--N 1.367 1.356 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -151.2 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.96 -59.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -111.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.99 112.32 11.74 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 163.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.7 123.24 36.89 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.298 -159.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.95 -19.49 0.86 Allowed Glycine 0 CA--C 1.551 2.334 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 170.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 -2.36 1.21 Allowed 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -149.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtt-85 -128.77 -53.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.962 -1.495 . . . . 0.0 112.813 -148.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.36 -45.51 90.34 Favored Glycine 0 CA--C 1.574 3.77 1 CA-C-O 111.563 -5.02 . . . . 0.0 117.06 -175.083 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.01 149.92 94.92 Favored 'Cis proline' 0 C--N 1.391 2.815 1 CA-C-N 128.815 6.307 . . . . 0.0 113.301 4.379 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.0 -151.23 5.45 Favored Glycine 0 CA--C 1.567 3.324 0 CA-C-O 114.575 -3.347 . . . . 0.0 116.71 -175.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -82.81 139.57 38.51 Favored 'Cis proline' 0 C--N 1.389 2.682 1 CA-C-N 125.049 4.424 . . . . 0.0 112.769 10.195 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.486 HE21 ' HG ' ' A' ' 21' ' ' LEU 0.279 3.6 pm0 -167.21 -41.06 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.367 -1.778 . . . . 0.0 112.52 170.231 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' HE21 ' A' ' 20' ' ' GLN . 16.3 mt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 125.311 2.481 . . . . 0.0 113.029 -153.239 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t 66.68 90.16 0.1 Allowed 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 126.585 1.954 . . . . 0.0 112.013 179.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.294 0.3 OUTLIER 55.0 94.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.664 2.386 . . . . 0.0 114.512 173.277 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.389 9.3 mmmm 70.85 107.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 126.658 1.983 . . . . 0.0 114.416 154.362 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt 65.49 168.74 0.2 Allowed 'General case' 0 N--CA 1.521 3.101 1 CA-C-N 126.435 4.198 . . . . 0.0 110.756 -3.006 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -128.9 111.52 13.14 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -143.48 140.07 30.16 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -174.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -25.55 -10.95 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.106 1 N-CA-C 124.453 4.983 . . . . 0.0 124.453 134.258 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.2 138.96 6.53 Favored 'General case' 0 CA--C 1.564 1.516 1 N-CA-C 121.959 4.059 . . . . 0.0 121.959 -120.162 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.45 -68.23 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.227 1 CA-C-N 126.078 4.035 . . . . 0.0 110.659 -22.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 155.64 -29.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 124.88 1.272 . . . . 0.0 111.058 -120.294 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.2 -61.54 1.58 Allowed 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 126.263 1.825 . . . . 0.0 109.564 -171.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.39 116.31 2.01 Favored Glycine 0 C--N 1.366 2.212 0 N-CA-C 105.975 -2.85 . . . . 0.0 105.975 174.162 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -88.66 66.44 8.11 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.667 1.223 . . . . 0.0 111.84 -145.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -143.03 -77.57 0.24 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 116.739 -1.6 . . . . 0.0 108.548 -141.005 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.8 96.42 0.01 OUTLIER Glycine 0 CA--C 1.57 3.48 1 CA-C-O 112.241 -4.644 . . . . 0.0 113.775 -170.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.37 82.25 0.05 OUTLIER 'Cis proline' 0 C--N 1.386 2.51 1 CA-C-N 126.865 5.332 . . . . 0.0 113.931 14.006 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.02 -156.44 0.66 Allowed Glycine 1 CA--C 1.58 4.113 0 CA-C-O 114.575 -3.347 . . . . 0.0 118.662 166.028 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.77 169.74 31.43 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 125.094 4.447 . . . . 0.0 114.376 -8.835 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.85 -1.02 50.34 Favored 'General case' 0 N--CA 1.512 2.656 2 O-C-N 113.878 -5.514 . . . . 0.0 116.083 -2.621 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 125.15 2.405 . . . . 0.0 110.144 167.782 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -149.73 144.28 25.97 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.979 1.312 . . . . 0.0 109.781 -177.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.1 ttp -46.71 143.73 2.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.309 19.4 mmtp 54.35 72.16 0.47 Allowed 'General case' 0 CA--C 1.581 2.172 0 C-N-CA 126.98 2.112 . . . . 0.0 111.638 -176.289 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -46.88 142.31 3.5 Favored 'General case' 0 N--CA 1.5 2.025 2 O-C-N 113.655 -5.653 . . . . 0.0 119.12 14.552 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.484 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 78.3 p -143.22 -49.16 0.32 Allowed 'General case' 0 N--CA 1.495 1.775 2 CA-C-N 127.206 4.548 . . . . 0.0 113.269 -17.559 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' ' H ' ' A' ' 6' ' ' SER . 1.4 p90 -153.04 138.33 17.5 Favored 'General case' 0 N--CA 1.493 1.677 2 CA-C-N 131.138 6.335 . . . . 0.0 107.812 5.725 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.54 -14.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.994 1 N-CA-C 124.071 4.841 . . . . 0.0 124.071 146.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.31 146.38 34.56 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 121.231 3.789 . . . . 0.0 121.231 -119.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER -159.9 -88.86 0.03 OUTLIER 'General case' 0 C--N 1.372 1.585 0 CA-C-N 125.984 3.993 . . . . 0.0 108.553 -23.873 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.42 -30.74 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 125.847 1.659 . . . . 0.0 114.215 -150.172 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -86.86 -58.8 2.46 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 116.64 -1.648 . . . . 0.0 110.887 -159.477 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.68 50.31 0.07 OUTLIER Glycine 0 N--CA 1.494 2.511 0 N-CA-C 117.635 1.814 . . . . 0.0 117.635 165.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.479 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -156.38 -22.63 0.1 Allowed 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.928 1.291 . . . . 0.0 112.223 -166.14 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG3' ' H ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -144.78 159.95 42.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 119.281 -2.137 . . . . 0.0 111.642 -93.47 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.23 65.79 1.26 Allowed Glycine 0 CA--C 1.562 3.011 1 CA-C-O 112.341 -4.588 . . . . 0.0 110.222 -167.608 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -75.88 136.26 43.89 Favored 'Cis proline' 0 C--N 1.392 2.849 1 CA-C-N 127.229 5.514 . . . . 0.0 113.358 6.58 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.3 -132.4 0.15 Allowed Glycine 0 CA--C 1.574 3.747 0 CA-C-O 113.71 -3.828 . . . . 0.0 114.387 -176.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.63 129.89 16.44 Favored 'Cis proline' 0 C--N 1.388 2.657 1 CA-C-N 125.828 4.814 . . . . 0.0 112.61 3.286 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -112.69 126.05 54.97 Favored 'General case' 0 N--CA 1.498 1.941 2 CA-C-N 127.595 4.725 . . . . 0.0 108.3 17.499 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.289 4.4 mp . . . . . 0 N--CA 1.5 2.043 0 C-N-CA 126.625 1.97 . . . . 0.0 111.861 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.556 1.183 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 54.62 80.84 0.11 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 126.911 2.084 . . . . 0.0 113.42 -179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -100.79 118.21 36.43 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.56 -9.56 9.19 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 176.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.85 -48.57 75.27 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 124.411 1.084 . . . . 0.0 112.678 156.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -76.08 156.99 33.39 Favored 'General case' 0 CA--C 1.58 2.126 0 O-C-N 124.499 1.125 . . . . 0.0 113.94 154.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -84.64 146.28 27.56 Favored 'General case' 0 N--CA 1.494 1.764 2 O-C-N 115.051 -4.78 . . . . 0.0 112.844 -10.355 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 98.54 11.55 Favored 'General case' 0 N--CA 1.486 1.364 2 O-C-N 115.609 -4.432 . . . . 0.0 109.743 2.772 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.26 96.44 2.99 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.128 -2.306 . . . . 0.0 105.97 121.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -74.46 -76.62 0.13 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.199 -1.819 . . . . 0.0 107.894 -167.042 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 31.94 60.27 0.33 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 118.599 2.815 . . . . 0.0 118.599 155.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.416 0.3 OUTLIER 105.88 70.72 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 128.071 2.548 . . . . 0.0 105.44 -140.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.3 -111.38 2.7 Favored Glycine 0 C--N 1.362 1.98 2 O-C-N 112.824 -6.173 . . . . 0.0 106.51 -5.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -141.24 46.21 1.73 Allowed 'General case' 0 N--CA 1.513 2.687 0 CA-C-N 119.293 1.547 . . . . 0.0 112.111 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -153.39 -64.22 0.15 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.608 -163.533 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.44 70.08 1.34 Allowed Glycine 0 CA--C 1.558 2.773 1 CA-C-O 112.289 -4.617 . . . . 0.0 111.028 -176.789 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.42 146.63 69.14 Favored 'Cis proline' 0 C--N 1.388 2.632 1 CA-C-N 127.057 5.428 . . . . 0.0 114.231 -1.187 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.07 -150.96 12.19 Favored Glycine 0 CA--C 1.578 3.979 2 CA-C-N 128.611 5.187 . . . . 0.0 113.1 9.252 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -88.4 129.6 9.49 Favored 'Cis proline' 0 CA--C 1.581 2.829 1 CA-C-N 126.374 5.087 . . . . 0.0 113.135 -6.185 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -132.38 100.92 5.15 Favored 'General case' 0 N--CA 1.493 1.681 2 CA-C-N 128.817 5.281 . . . . 0.0 106.105 -0.222 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.333 8.4 mt . . . . . 0 N--CA 1.495 1.791 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.049 -171.195 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m 52.06 117.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 127.025 2.13 . . . . 0.0 115.266 -179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -124.86 154.49 40.96 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.225 1.012 . . . . 0.0 109.737 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.05 116.38 27.79 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 116.883 -1.532 . . . . 0.0 108.884 -140.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.01 151.46 51.73 Favored 'General case' 0 N--CA 1.5 2.054 2 CA-C-N 128.138 4.972 . . . . 0.0 108.2 -10.105 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.282 45.7 t 85.19 98.68 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 127.098 2.159 . . . . 0.0 105.887 -162.023 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.283 20.5 m-85 60.72 150.25 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 2 O-C-N 115.279 -4.638 . . . . 0.0 113.981 14.215 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.03 95.88 Favored 'General case' 0 CA--C 1.575 1.933 1 O-C-N 115.726 -4.359 . . . . 0.0 114.422 3.612 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.87 15.08 14.33 Favored 'General case' 0 N--CA 1.498 1.975 2 CA-C-N 128.464 5.12 . . . . 0.0 117.249 -10.148 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.33 172.05 13.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.686 -1.884 . . . . 0.0 111.534 -107.411 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.82 102.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 110.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -107.21 143.57 35.23 Favored 'General case' 0 N--CA 1.495 1.819 2 O-C-N 114.743 -4.973 . . . . 0.0 108.896 -43.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.52 -81.88 0.31 Allowed Glycine 0 N--CA 1.491 2.301 0 CA-C-O 121.231 0.351 . . . . 0.0 113.489 159.551 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.47 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 166.512 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -103.32 -39.9 6.62 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 116.184 -1.865 . . . . 0.0 115.508 -165.603 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -64.13 2.95 Favored Glycine 0 CA--C 1.565 3.191 1 CA-C-O 112.969 -4.24 . . . . 0.0 115.106 -163.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -69.41 143.7 73.93 Favored 'Cis proline' 0 C--N 1.389 2.672 1 CA-C-N 126.324 5.062 . . . . 0.0 113.9 8.682 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.37 -169.73 16.56 Favored Glycine 0 CA--C 1.575 3.783 0 CA-C-O 115.687 -2.729 . . . . 0.0 116.435 -177.137 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.72 112.52 2.63 Favored 'Cis proline' 0 C--N 1.391 2.767 1 CA-C-N 124.525 4.162 . . . . 0.0 111.028 0.419 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.73 -29.28 0.17 Allowed 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 115.654 -2.117 . . . . 0.0 115.125 177.242 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 11.3 mt . . . . . 0 N--CA 1.502 2.133 0 CA-C-N 122.273 2.306 . . . . 0.0 106.526 -162.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.321 0.0 OUTLIER 35.21 43.14 0.11 Allowed 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 121.562 3.912 . . . . 0.0 121.562 154.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -82.59 -45.11 15.0 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 123.979 0.912 . . . . 0.0 112.348 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.328 15.8 mt 66.4 59.24 0.65 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 127.308 2.243 . . . . 0.0 114.141 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -155.11 81.71 1.07 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 147.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.02 179.01 7.91 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.167 0.987 . . . . 0.0 109.317 -167.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -50.95 21.66 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 115.2 -2.333 . . . . 0.0 110.43 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.287 . . . . . . . 0 CA--C 1.563 1.459 2 CA-C-N 129.054 5.388 . . . . 0.0 109.301 -15.227 . . . . . . . . 2 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -144.09 75.22 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.81 1.644 . . . . 0.0 106.749 -152.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -115.98 122.84 46.44 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -133.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.82 73.6 1.23 Allowed Glycine 0 CA--C 1.561 2.927 1 CA-C-O 112.831 -4.316 . . . . 0.0 112.401 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.14 123.0 7.61 Favored 'Cis proline' 0 C--N 1.393 2.908 1 CA-C-N 126.524 5.162 . . . . 0.0 111.546 5.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.93 82.87 0.35 Allowed Glycine 0 N--CA 1.477 1.403 0 CA-C-O 113.568 -3.907 . . . . 0.0 111.748 -164.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -61.16 138.75 79.81 Favored 'Trans proline' 0 CA--C 1.579 2.744 1 CA-C-N 124.488 4.144 . . . . 0.0 115.557 166.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.1 62.29 1.27 Allowed 'General case' 0 N--CA 1.503 2.19 2 CA-C-N 128.174 4.988 . . . . 0.0 111.607 -0.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.918 2.295 . . . . 0.0 106.002 141.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 CA--C 1.561 1.39 0 N-CA-C 104.083 -2.562 . . . . 0.0 104.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.8 tpt -149.71 138.18 20.73 Favored 'General case' 0 N--CA 1.498 1.926 2 O-C-N 114.56 -5.088 . . . . 0.0 107.085 -5.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -88.39 90.74 8.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.485 1.114 . . . . 0.0 108.715 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -145.15 -75.88 0.22 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.02 138.8 31.21 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 116.855 -1.545 . . . . 0.0 110.152 123.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.77 177.75 7.74 Favored 'General case' 0 CA--C 1.584 2.287 2 CA-C-N 128.632 5.196 . . . . 0.0 109.123 -6.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -23.17 -9.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.789 1 N-CA-C 124.24 4.904 . . . . 0.0 124.24 146.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.271 . . . . . . . 0 CA--C 1.568 1.641 0 O-C-N 118.388 -2.695 . . . . 0.0 114.657 -85.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -88.39 63.01 6.9 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 122.433 1.111 . . . . 0.0 112.289 -147.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -151.66 -68.16 0.17 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 116.943 -1.503 . . . . 0.0 108.323 -160.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.98 79.5 0.85 Allowed Glycine 0 CA--C 1.56 2.858 1 CA-C-O 112.414 -4.548 . . . . 0.0 110.429 -175.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.06 157.31 97.51 Favored 'Cis proline' 0 C--N 1.385 2.457 1 CA-C-N 126.5 5.15 . . . . 0.0 114.336 13.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.82 -118.83 0.24 Allowed Glycine 0 CA--C 1.563 3.056 1 CA-C-O 112.269 -4.628 . . . . 0.0 113.208 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -64.9 148.4 72.18 Favored 'Cis proline' 0 C--N 1.39 2.753 1 CA-C-N 127.162 5.481 . . . . 0.0 117.208 13.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.11 -13.43 4.51 Favored 'General case' 0 N--CA 1.513 2.721 2 CA-C-N 127.166 4.53 . . . . 0.0 114.367 -7.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.364 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 126.888 2.075 . . . . 0.0 114.025 170.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.0 tpt 46.56 119.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 127.06 2.144 . . . . 0.0 115.241 171.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.347 11.1 mmpt? 68.63 89.51 0.1 Allowed 'General case' 0 CA--C 1.584 2.276 0 C-N-CA 126.89 2.076 . . . . 0.0 111.184 174.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -148.74 105.33 3.55 Favored 'General case' 0 N--CA 1.492 1.625 2 O-C-N 115.582 -4.449 . . . . 0.0 109.263 -4.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -156.57 57.13 0.56 Allowed 'General case' 0 CA--C 1.592 2.583 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 149.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.67 171.38 8.43 Favored 'General case' 0 N--CA 1.494 1.735 2 O-C-N 111.844 -6.785 . . . . 0.0 114.121 4.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -16.8 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.339 1 N-CA-C 122.279 4.177 . . . . 0.0 122.279 158.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.527 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -153.404 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.018 0 CA-C-O 117.536 -1.702 . . . . 0.0 115.664 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -117.16 93.25 4.11 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 123.042 3.421 . . . . 0.0 106.544 -81.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.47 -26.8 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 C-N-CA 126.078 1.751 . . . . 0.0 115.17 -154.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.94 74.42 1.12 Allowed Glycine 0 CA--C 1.554 2.51 1 CA-C-O 112.724 -4.376 . . . . 0.0 106.149 -162.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -60.56 136.52 16.39 Favored 'Cis proline' 0 C--N 1.394 2.936 1 CA-C-N 126.261 5.031 . . . . 0.0 118.51 12.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.72 161.14 15.07 Favored Glycine 0 CA--C 1.569 3.443 0 CA-C-O 115.608 -2.773 . . . . 0.0 116.799 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -71.18 116.48 3.11 Favored 'Cis proline' 0 C--N 1.392 2.868 1 CA-C-N 125.088 4.444 . . . . 0.0 109.657 -9.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.316 0.0 OUTLIER 72.87 -41.46 0.5 Allowed 'General case' 0 N--CA 1.519 2.997 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 124.77 2.224 . . . . 0.0 111.477 174.321 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.256 22.7 t . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.268 0.08 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.448 ' H ' ' HA ' ' A' ' 21' ' ' LEU . 60.4 mmm -147.36 144.3 28.63 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.809 -160.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -74.55 -64.46 1.03 Allowed 'General case' 0 N--CA 1.504 2.273 2 O-C-N 114.968 -4.833 . . . . 0.0 109.9 -9.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -135.6 -64.55 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.012 1.278 . . . . 0.0 108.301 152.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -102.65 121.7 42.94 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 165.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.305 82.9 t80 -102.93 -101.22 0.29 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -136.27 -59.93 0.73 Allowed 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 115.64 -2.124 . . . . 0.0 105.856 -170.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 2 CA-C-N 128.921 5.328 . . . . 0.0 109.477 -6.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -143.72 14.49 1.75 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 124.854 1.262 . . . . 0.0 112.363 -157.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -139.78 -59.91 0.55 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 116.57 -1.681 . . . . 0.0 108.93 -127.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.81 104.85 0.92 Allowed Glycine 0 CA--C 1.556 2.61 1 CA-C-O 112.669 -4.406 . . . . 0.0 112.59 164.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -82.22 85.76 0.03 OUTLIER 'Cis proline' 0 C--N 1.39 2.732 1 CA-C-N 126.798 5.299 . . . . 0.0 110.245 -3.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.66 49.51 Favored Glycine 1 CA--C 1.578 4.012 0 CA-C-O 115.364 -2.909 . . . . 0.0 115.309 -175.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.45 155.32 70.96 Favored 'Cis proline' 0 C--N 1.386 2.546 1 CA-C-N 124.805 4.302 . . . . 0.0 116.405 -3.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.269 0.0 OUTLIER -91.11 -32.35 15.89 Favored 'General case' 0 N--CA 1.51 2.553 2 O-C-N 115.828 -4.295 . . . . 0.0 113.711 -6.897 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HA ' ' H ' ' A' ' 3' ' ' MET . 32.7 mt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 123.108 1.432 . . . . 0.0 112.375 -176.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.299 0.0 OUTLIER -63.21 169.69 3.38 Favored 'General case' 0 CA--C 1.576 1.973 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -173.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.278 10.6 mmpt? 65.97 42.14 3.44 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.721 1.608 . . . . 0.0 113.934 -161.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -151.17 -76.93 0.14 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 160.5 14.48 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.311 1.444 . . . . 0.0 109.2 158.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.31 26.48 Favored 'General case' 0 CA--C 1.584 2.272 0 C-N-CA 124.001 0.92 . . . . 0.0 112.063 -169.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -120.35 109.31 15.2 Favored 'General case' 0 C--N 1.366 1.312 2 O-C-N 113.538 -5.726 . . . . 0.0 110.014 12.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.361 0 CA-C-N 112.932 -1.94 . . . . 0.0 110.57 145.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 N-CA-C 117.41 1.724 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.25 0.0 OUTLIER -166.01 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 124.696 1.198 . . . . 0.0 109.911 -167.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -154.04 132.67 12.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.433 1.493 . . . . 0.0 107.15 -161.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.78 -65.66 0.38 Allowed Glycine 0 CA--C 1.562 2.981 1 CA-C-O 112.616 -4.436 . . . . 0.0 110.848 -172.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.71 144.93 75.45 Favored 'Cis proline' 0 C--N 1.388 2.658 1 CA-C-N 127.065 5.433 . . . . 0.0 112.946 6.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.7 -160.97 21.08 Favored Glycine 1 CA--C 1.579 4.044 0 CA-C-O 115.159 -3.023 . . . . 0.0 114.534 169.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -79.54 112.85 2.74 Favored 'Cis proline' 0 C--N 1.39 2.731 1 CA-C-N 125.63 4.715 . . . . 0.0 111.669 1.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.348 2.7 pm0 165.29 -50.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 127.495 2.318 . . . . 0.0 107.558 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.499 2.003 0 C-N-CA 125.173 1.389 . . . . 0.0 112.882 -175.146 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.5 2.053 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.261 0.4 OUTLIER 59.23 127.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 127.224 2.21 . . . . 0.0 112.856 178.048 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -153.99 -56.13 0.11 Allowed 'General case' 0 CA--C 1.579 2.065 0 CA-C-O 114.655 -2.593 . . . . 0.0 109.06 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.92 -87.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.86 2 CA-C-N 131.2 6.364 . . . . 0.0 107.245 7.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 t 23.35 67.49 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.889 2.922 . . . . 0.0 118.889 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.273 55.6 t80 -123.61 -121.22 0.27 Allowed 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 105.172 -2.159 . . . . 0.0 105.172 -166.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 0.76 0.1 Allowed 'General case' 0 CA--C 1.576 1.975 0 C-N-CA 127.53 2.332 . . . . 0.0 112.325 -164.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 117.036 2.236 . . . . 0.0 117.036 -121.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.04 109.25 21.08 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -129.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -150.55 89.53 1.57 Allowed 'General case' 0 N--CA 1.503 2.199 2 O-C-N 115.004 -4.81 . . . . 0.0 108.529 18.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.09 87.53 0.08 OUTLIER Glycine 0 CA--C 1.566 3.263 1 CA-C-O 112.136 -4.702 . . . . 0.0 114.868 168.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.3 152.49 96.23 Favored 'Cis proline' 0 C--N 1.386 2.502 1 CA-C-N 127.066 5.433 . . . . 0.0 113.097 3.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.17 -92.23 1.14 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 113.342 -4.032 . . . . 0.0 110.136 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.71 158.81 87.27 Favored 'Cis proline' 0 CA--C 1.573 2.466 1 CA-C-N 125.413 4.606 . . . . 0.0 114.894 1.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.456 HE21 ' H ' ' A' ' 20' ' ' GLN 0.262 0.0 OUTLIER -76.58 -52.34 9.91 Favored 'General case' 0 N--CA 1.511 2.612 1 O-C-N 115.758 -4.339 . . . . 0.0 112.145 14.799 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 124.443 2.068 . . . . 0.0 110.301 -169.011 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.575 1.93 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 ttp -150.67 140.17 21.51 Favored 'General case' 0 N--CA 1.497 1.901 2 O-C-N 113.584 -5.698 . . . . 0.0 107.466 -9.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 66.48 87.0 0.13 Allowed 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 126.823 2.049 . . . . 0.0 108.683 -173.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.78 134.22 40.49 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.926 0.491 . . . . 0.0 110.545 -152.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 63.91 88.34 0.1 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 126.486 1.915 . . . . 0.0 111.136 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.276 79.9 t80 -111.44 -88.64 0.52 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -162.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -58.5 0.1 Allowed 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.229 -2.319 . . . . 0.0 107.001 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.658 2 CA-C-N 129.523 5.601 . . . . 0.0 111.052 3.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.381 0 N-CA-C 106.886 -2.486 . . . . 0.0 106.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -83.52 47.41 1.27 Allowed 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -161.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -141.34 -62.6 0.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.557 -1.687 . . . . 0.0 110.843 -138.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.78 73.29 1.08 Allowed Glycine 0 CA--C 1.562 2.993 1 CA-C-O 112.539 -4.479 . . . . 0.0 112.651 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -69.93 156.82 93.06 Favored 'Cis proline' 0 C--N 1.389 2.671 1 CA-C-N 126.979 5.389 . . . . 0.0 114.16 2.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.51 -111.34 0.01 OUTLIER Glycine 0 CA--C 1.565 3.205 1 CA-C-O 112.033 -4.76 . . . . 0.0 114.387 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.499 ' HB2' HE21 ' A' ' 20' ' ' GLN . 38.5 Cg_exo -75.86 153.85 98.1 Favored 'Cis proline' 0 CA--C 1.578 2.703 1 CA-C-N 127.526 5.663 . . . . 0.0 116.332 8.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.499 HE21 ' HB2' ' A' ' 19' ' ' PRO . 1.7 mp0 -105.85 62.55 0.67 Allowed 'General case' 0 N--CA 1.511 2.603 2 CA-C-N 127.871 4.85 . . . . 0.0 108.531 -6.527 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.28 19.9 mt . . . . . 0 N--CA 1.499 1.99 0 C-N-CA 126.502 1.921 . . . . 0.0 112.55 -164.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.552 ' H ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mmm -143.44 132.96 23.54 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.862 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 22.66 14.07 Favored 'General case' 0 CA--C 1.597 2.781 2 O-C-N 114.35 -5.219 . . . . 0.0 115.129 12.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.48 160.88 14.56 Favored 'General case' 0 N--CA 1.489 1.487 2 O-C-N 110.329 -7.732 . . . . 0.0 108.849 5.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p 74.95 116.88 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 127.14 2.176 . . . . 0.0 111.07 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -130.18 -81.77 0.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.351 1.032 . . . . 0.0 108.39 -165.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 31.2 ptt180 147.47 -57.95 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 C-N-CA 126.098 1.759 . . . . 0.0 106.697 -132.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.153 0 C-N-CA 129.162 2.985 . . . . 0.0 116.499 -178.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.347 0 N-CA-C 106.314 -2.715 . . . . 0.0 106.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.74 71.26 4.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.513 1.149 . . . . 0.0 110.453 -139.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -145.31 -70.54 0.27 Allowed 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.059 -141.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.94 93.15 0.06 OUTLIER Glycine 0 CA--C 1.565 3.158 1 CA-C-O 112.263 -4.632 . . . . 0.0 113.648 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.54 78.6 0.09 OUTLIER 'Cis proline' 0 C--N 1.389 2.693 1 CA-C-N 126.965 5.383 . . . . 0.0 113.637 5.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.5 -148.72 50.5 Favored Glycine 0 CA--C 1.573 3.699 0 CA-C-O 114.48 -3.4 . . . . 0.0 118.083 165.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.28 150.35 79.49 Favored 'Cis proline' 0 C--N 1.391 2.765 1 CA-C-N 124.708 4.254 . . . . 0.0 114.892 3.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.49 3.49 2.8 Favored 'General case' 0 N--CA 1.516 2.837 2 O-C-N 115.316 -4.615 . . . . 0.0 115.347 5.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' H ' ' A' ' 3' ' ' MET 0.377 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.452 0 C-N-CA 125.911 1.685 . . . . 0.0 114.947 165.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 117.588 -1.196 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -12.38 152.83 0.0 OUTLIER 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 121.569 3.915 . . . . 0.0 121.569 166.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -85.39 96.27 9.51 Favored 'General case' 0 N--CA 1.496 1.87 2 CA-C-N 128.032 4.924 . . . . 0.0 106.825 -11.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 tp -125.96 -76.52 0.58 Allowed 'General case' 0 CA--C 1.561 1.366 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -136.46 119.65 16.65 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 161.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -106.13 154.15 21.07 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.97 29.11 0.21 Allowed 'General case' 0 N--CA 1.511 2.582 1 O-C-N 115.626 -4.421 . . . . 0.0 113.194 -8.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.927 0 O-C-N 116.918 -3.614 . . . . 0.0 116.249 -91.29 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.396 0 CA-C-O 118.571 -1.127 . . . . 0.0 115.673 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.4 71.08 1.26 Allowed 'General case' 0 N--CA 1.509 2.492 2 CA-C-N 126.529 5.164 . . . . 0.0 109.702 11.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -149.47 -46.92 0.14 Allowed 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.931 -150.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.38 97.53 Favored Glycine 0 CA--C 1.573 3.714 1 CA-C-O 111.626 -4.986 . . . . 0.0 118.794 -169.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.89 145.79 85.0 Favored 'Cis proline' 0 C--N 1.392 2.842 1 CA-C-N 128.558 6.179 . . . . 0.0 113.369 13.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.82 165.62 12.06 Favored Glycine 0 CA--C 1.575 3.801 0 CA-C-O 115.743 -2.698 . . . . 0.0 116.279 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.63 128.75 16.35 Favored 'Cis proline' 0 C--N 1.393 2.881 1 CA-C-N 124.209 4.005 . . . . 0.0 111.036 6.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 0.0 OUTLIER -131.93 -46.28 0.94 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 125.134 1.521 . . . . 0.0 111.161 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 125.014 2.34 . . . . 0.0 111.044 173.439 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.0 mmm -140.36 123.02 16.28 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.426 -1.273 . . . . 0.0 108.026 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -76.22 -59.01 2.95 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 114.447 -5.158 . . . . 0.0 110.869 -4.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -146.28 -55.51 0.27 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 121.594 1.997 . . . . 0.0 112.527 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -89.38 -61.68 1.65 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.94 -161.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.312 55.8 t80 -124.49 -89.95 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 2 CA-C-N 130.692 6.133 . . . . 0.0 106.608 -2.058 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -147.2 -62.59 0.28 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -167.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 2 CA-C-N 129.218 5.463 . . . . 0.0 110.452 -6.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 N-CA-C 105.436 -3.066 . . . . 0.0 105.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -85.79 52.09 2.38 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-O 123.384 1.564 . . . . 0.0 113.078 -162.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER 176.23 -49.9 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 124.869 1.268 . . . . 0.0 110.857 -140.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.93 -146.89 17.57 Favored Glycine 0 CA--C 1.56 2.876 0 CA-C-O 114.782 -3.232 . . . . 0.0 110.358 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -72.34 107.04 2.18 Favored 'Trans proline' 0 C--N 1.39 2.737 1 CA-C-N 127.044 5.422 . . . . 0.0 113.286 -161.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.67 -143.85 6.32 Favored Glycine 0 CA--C 1.574 3.755 2 CA-C-N 128.613 5.188 . . . . 0.0 111.656 4.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -69.87 151.83 92.06 Favored 'Cis proline' 0 C--N 1.386 2.533 1 CA-C-N 125.382 4.591 . . . . 0.0 114.931 -5.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -37.81 12.49 Favored 'General case' 0 N--CA 1.524 3.249 2 O-C-N 115.514 -4.492 . . . . 0.0 112.962 -10.303 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 124.926 2.298 . . . . 0.0 110.155 -169.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.355 1.5 tpt -80.79 -68.15 0.71 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 117.515 -1.231 . . . . 0.0 111.147 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.7 -9.63 21.32 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 169.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.307 11.6 mt 66.09 67.21 0.47 Allowed 'General case' 0 N--CA 1.509 2.5 0 C-N-CA 127.473 2.309 . . . . 0.0 112.409 -169.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -159.98 -172.89 3.81 Favored 'General case' 0 CA--C 1.601 2.921 0 CA-C-N 112.159 -2.291 . . . . 0.0 107.499 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.06 -67.5 0.84 Allowed 'General case' 0 N--CA 1.493 1.711 2 O-C-N 110.847 -7.408 . . . . 0.0 109.453 -9.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -65.36 0.09 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 101.978 -3.342 . . . . 0.0 101.978 -153.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.753 2 CA-C-N 129.437 5.562 . . . . 0.0 113.018 2.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' H ' ' HD2' ' A' ' 15' ' ' ARG . 5.6 m-85 -140.24 43.93 1.89 Allowed 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.645 0.778 . . . . 0.0 110.79 -165.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HD2' ' H ' ' A' ' 14' ' ' PHE 0.274 0.0 OUTLIER -143.72 -74.22 0.26 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 116.537 -1.697 . . . . 0.0 108.945 -155.998 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.722 ' H ' HE22 ' A' ' 20' ' ' GLN . . . 75.4 109.09 0.1 Allowed Glycine 0 CA--C 1.565 3.186 1 CA-C-O 111.523 -5.043 . . . . 0.0 112.467 -178.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -88.0 157.87 43.58 Favored 'Cis proline' 0 C--N 1.388 2.607 1 CA-C-N 128.12 5.96 . . . . 0.0 114.065 2.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.99 -166.59 34.7 Favored Glycine 0 CA--C 1.576 3.845 0 CA-C-O 115.276 -2.958 . . . . 0.0 114.37 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -108.3 16.19 0.1 Allowed 'Trans proline' 0 CA--C 1.601 3.874 1 CA-C-N 125.253 4.526 . . . . 0.0 121.98 159.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.722 HE22 ' H ' ' A' ' 16' ' ' GLY 0.468 0.9 OUTLIER 64.63 -55.75 0.27 Allowed 'General case' 0 N--CA 1.496 1.834 2 CA-C-N 133.954 7.615 . . . . 0.0 115.217 19.131 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 5.5 mp . . . . . 0 N--CA 1.497 1.896 0 C-N-CA 128.296 2.638 . . . . 0.0 113.789 171.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.9 ptm -65.49 153.41 41.48 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 117.101 2.259 . . . . 0.0 117.101 -170.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.58 100.3 10.14 Favored 'General case' 0 N--CA 1.493 1.709 2 CA-C-N 127.679 4.763 . . . . 0.0 104.964 -18.233 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -139.86 -72.13 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -94.1 123.22 37.34 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 116.379 -1.772 . . . . 0.0 107.69 150.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -142.8 -85.02 0.16 Allowed 'General case' 0 N--CA 1.496 1.859 2 CA-C-N 128.549 5.159 . . . . 0.0 110.42 -0.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 13.77 0.95 Allowed 'General case' 0 CA--C 1.591 2.549 0 C-N-CA 126.855 2.062 . . . . 0.0 113.508 -166.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.265 . . . . . . . 0 CA--C 1.559 1.316 0 O-C-N 117.371 -3.331 . . . . 0.0 116.058 -83.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.59 52.19 2.4 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.944 1.354 . . . . 0.0 112.08 -165.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HD3' ' H ' ' A' ' 16' ' ' GLY 0.348 0.0 OUTLIER 177.71 -64.9 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 116.417 -1.754 . . . . 0.0 108.447 -146.079 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.413 ' H ' ' HD3' ' A' ' 15' ' ' ARG . . . 86.82 96.82 0.84 Allowed Glycine 0 CA--C 1.556 2.619 1 CA-C-O 111.936 -4.813 . . . . 0.0 113.22 171.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.39 150.59 37.51 Favored 'Cis proline' 0 CA--C 1.58 2.822 1 CA-C-N 127.656 5.728 . . . . 0.0 113.783 -7.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.61 -153.16 24.55 Favored Glycine 1 CA--C 1.579 4.079 2 CA-C-N 129.728 5.695 . . . . 0.0 112.559 1.227 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.48 135.49 15.85 Favored 'Cis proline' 0 C--N 1.392 2.83 1 CA-C-N 125.028 4.414 . . . . 0.0 114.307 -1.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.265 1.1 pp0? -160.55 -15.86 0.05 Allowed 'General case' 0 N--CA 1.524 3.26 1 CA-C-N 126.632 4.287 . . . . 0.0 115.814 2.706 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 122.976 1.37 . . . . 0.0 113.701 -176.817 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.2 mmm -124.48 134.27 53.09 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.34 -174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.78 57.67 0.91 Allowed 'General case' 0 CA--C 1.592 2.585 2 O-C-N 114.245 -5.285 . . . . 0.0 110.225 16.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.59 -34.97 67.78 Favored 'General case' 0 N--CA 1.506 2.374 2 O-C-N 111.012 -7.305 . . . . 0.0 113.759 -11.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -74.76 115.12 13.98 Favored 'General case' 0 CA--C 1.578 2.02 0 CA-C-O 116.803 -1.57 . . . . 0.0 109.859 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.38 -68.99 0.46 Allowed 'General case' 0 N--CA 1.493 1.721 2 CA-C-N 128.56 5.164 . . . . 0.0 111.665 7.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -127.26 -145.03 0.31 Allowed 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 -150.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 1.635 0 O-C-N 116.778 -3.701 . . . . 0.0 106.265 98.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -89.37 41.99 1.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 123.437 1.589 . . . . 0.0 110.946 168.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -164.39 -51.98 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 117.325 -1.321 . . . . 0.0 108.91 -125.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.09 -45.93 56.55 Favored Glycine 0 CA--C 1.574 3.771 1 CA-C-O 112.057 -4.746 . . . . 0.0 118.475 -177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -69.24 147.6 83.87 Favored 'Cis proline' 0 C--N 1.393 2.871 1 CA-C-N 128.194 5.997 . . . . 0.0 114.163 8.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.09 -152.45 5.93 Favored Glycine 0 CA--C 1.573 3.695 0 CA-C-O 115.077 -3.068 . . . . 0.0 115.128 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.66 111.4 1.42 Allowed 'Cis proline' 0 C--N 1.393 2.902 1 CA-C-N 124.875 4.338 . . . . 0.0 111.232 6.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -44.9 3.36 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.82 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.492 1.646 0 CA-C-N 120.074 1.306 . . . . 0.0 109.795 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 CA--C 1.567 1.616 0 CA-C-O 118.189 -0.91 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.332 0.0 OUTLIER -126.35 -58.93 1.33 Allowed 'General case' 0 N--CA 1.508 2.437 2 O-C-N 113.644 -5.66 . . . . 0.0 112.796 12.654 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 108.01 20.17 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 172.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.84 136.93 38.15 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.026 0.53 . . . . 0.0 111.194 -146.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t 62.0 96.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 126.918 2.087 . . . . 0.0 111.013 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.351 86.6 t80 -111.09 -112.07 0.33 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 116.357 -1.783 . . . . 0.0 108.427 -154.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -137.94 -62.17 0.6 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 115.604 -2.141 . . . . 0.0 106.185 -160.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.496 2 CA-C-N 129.1 5.409 . . . . 0.0 111.649 0.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.004 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.15 21.09 0.94 Allowed 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -166.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -146.87 -63.99 0.29 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 116.542 -1.694 . . . . 0.0 109.437 -134.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.03 81.61 0.77 Allowed Glycine 0 CA--C 1.565 3.178 1 CA-C-O 111.989 -4.784 . . . . 0.0 111.248 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -91.78 109.14 0.87 Allowed 'Cis proline' 0 C--N 1.389 2.681 1 CA-C-N 127.479 5.639 . . . . 0.0 113.865 7.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.52 30.61 Favored Glycine 0 CA--C 1.57 3.525 0 CA-C-O 115.211 -2.994 . . . . 0.0 119.086 150.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.93 117.86 5.03 Favored 'Cis proline' 0 CA--C 1.58 2.799 0 CA-C-N 124.175 3.988 . . . . 0.0 112.859 8.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -114.81 145.86 41.67 Favored 'General case' 0 N--CA 1.5 2.035 2 CA-C-N 128.613 5.188 . . . . 0.0 109.618 -4.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.266 13.7 mt . . . . . 0 N--CA 1.508 2.469 0 C-N-CA 126.648 1.979 . . . . 0.0 113.585 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.9 tpt -87.86 138.96 31.0 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.459 0.704 . . . . 0.0 110.149 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 101.93 10.23 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 -163.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 mt -145.15 -92.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 102.007 -3.331 . . . . 0.0 102.007 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -175.03 115.46 0.16 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 121.152 1.796 . . . . 0.0 107.308 147.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -140.68 -57.85 0.52 Allowed 'General case' 0 N--CA 1.502 2.139 2 O-C-N 114.82 -4.925 . . . . 0.0 109.65 -17.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -7.81 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 121.742 3.979 . . . . 0.0 121.742 98.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 115.231 -2.319 . . . . 0.0 117.01 -149.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.229 0 CA-C-O 122.677 1.154 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -144.21 -8.55 0.69 Allowed 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 113.56 -1.32 . . . . 0.0 114.337 -169.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 -49.37 0.28 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.077 1.351 . . . . 0.0 111.252 -168.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 73.4 1.27 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 112.322 -4.599 . . . . 0.0 108.944 -174.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.89 153.38 97.43 Favored 'Cis proline' 0 C--N 1.388 2.633 1 CA-C-N 126.667 5.233 . . . . 0.0 114.031 12.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.65 -94.38 0.56 Allowed Glycine 0 CA--C 1.557 2.672 1 CA-C-O 112.892 -4.282 . . . . 0.0 113.76 -165.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.89 139.98 62.53 Favored 'Cis proline' 0 CA--C 1.579 2.749 1 CA-C-N 126.021 4.91 . . . . 0.0 114.179 10.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -113.44 85.74 2.25 Favored 'General case' 0 N--CA 1.503 2.177 2 CA-C-N 128.255 5.025 . . . . 0.0 108.887 0.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.312 14.5 mt . . . . . 0 N--CA 1.501 2.088 0 C-N-CA 126.628 1.971 . . . . 0.0 111.764 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.542 0.686 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.322 13.0 ptm 59.5 139.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.378 1.871 . . . . 0.0 114.623 171.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? 51.03 64.96 1.62 Allowed 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 125.979 1.712 . . . . 0.0 114.03 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -146.35 -68.55 0.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 117.812 -1.09 . . . . 0.0 108.68 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -108.86 -51.41 2.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.876 1.27 . . . . 0.0 112.749 174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.325 0.1 OUTLIER 65.09 147.44 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.745 1.618 . . . . 0.0 114.741 166.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -69.93 -51.77 30.05 Favored 'General case' 0 N--CA 1.5 2.027 2 O-C-N 115.727 -4.358 . . . . 0.0 111.461 13.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 2 CA-C-N 128.622 5.192 . . . . 0.0 113.942 -19.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 122.481 3.752 . . . . 0.0 122.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -16.69 5.1 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -145.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -130.61 -47.36 1.06 Allowed 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.97 -144.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.57 89.5 Favored Glycine 0 CA--C 1.571 3.589 1 CA-C-O 111.412 -5.105 . . . . 0.0 118.143 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.14 147.08 82.18 Favored 'Cis proline' 0 C--N 1.391 2.795 1 CA-C-N 128.64 6.22 . . . . 0.0 114.03 16.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' HA2' HE21 ' A' ' 20' ' ' GLN . . . -105.46 -179.29 23.91 Favored Glycine 1 CA--C 1.579 4.061 0 CA-C-O 115.563 -2.799 . . . . 0.0 115.582 172.537 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -77.59 134.06 33.11 Favored 'Cis proline' 0 C--N 1.394 2.956 1 CA-C-N 125.415 4.608 . . . . 0.0 111.703 4.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.473 HE21 ' HA2' ' A' ' 18' ' ' GLY 0.359 0.1 OUTLIER 150.38 -56.22 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 127.006 2.122 . . . . 0.0 107.384 -168.231 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 125.146 2.403 . . . . 0.0 106.04 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.25 17.2 ttp 51.31 152.81 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 127.141 2.176 . . . . 0.0 115.314 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? 54.67 78.8 0.16 Allowed 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 126.339 1.856 . . . . 0.0 112.679 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.38 -107.37 0.1 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -152.78 84.17 1.23 Allowed 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 103.703 -2.703 . . . . 0.0 103.703 148.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.358 53.3 t80 71.66 143.06 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 2 O-C-N 114.231 -5.293 . . . . 0.0 110.916 11.008 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.95 -59.51 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 CA-C-N 110.792 -2.913 . . . . 0.0 104.844 -142.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.374 . . . . . . . 0 CA--C 1.569 1.676 0 C-N-CA 127.54 2.336 . . . . 0.0 116.269 -172.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.6 0 N-CA-C 118.535 2.174 . . . . 0.0 118.535 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.98 -48.03 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 119.005 1.403 . . . . 0.0 111.374 -165.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -116.66 -52.02 2.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.808 -1.568 . . . . 0.0 112.882 -153.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.25 -38.6 41.02 Favored Glycine 1 CA--C 1.579 4.039 1 CA-C-O 111.065 -5.297 . . . . 0.0 118.88 -178.702 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.15 152.57 18.86 Favored 'Cis proline' 0 C--N 1.393 2.903 1 CA-C-N 129.971 6.885 . . . . 0.0 114.764 -2.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.78 152.0 7.77 Favored Glycine 0 CA--C 1.568 3.345 0 CA-C-O 114.41 -3.439 . . . . 0.0 116.812 160.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -78.41 92.03 1.16 Allowed 'Trans proline' 0 C--N 1.398 3.159 1 CA-C-N 125.952 4.876 . . . . 0.0 110.891 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.357 3.5 pp0? 156.46 -53.08 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 126.658 1.983 . . . . 0.0 107.375 -152.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.367 1.356 0 CA-C-O 124.167 1.937 . . . . 0.0 106.098 169.673 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.291 11.6 ttt 52.04 141.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.03 2.132 . . . . 0.0 115.621 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.267 65.5 mmtt 47.98 66.68 0.98 Allowed 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 126.721 2.008 . . . . 0.0 115.082 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.6 -65.34 0.29 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.618 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -105.47 -52.85 2.75 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 116.423 -1.751 . . . . 0.0 113.271 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.25 0.5 OUTLIER 62.94 158.12 0.07 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 121.979 2.172 . . . . 0.0 113.808 167.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -96.45 111.17 23.37 Favored 'General case' 0 N--CA 1.478 0.945 2 O-C-N 114.039 -5.413 . . . . 0.0 109.464 11.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.924 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.088 137.429 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 117.417 1.727 . . . . 0.0 117.417 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -152.16 -19.41 0.18 Allowed 'General case' 0 N--CA 1.511 2.597 0 C-N-CA 124.707 1.203 . . . . 0.0 114.067 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -149.28 -46.03 0.14 Allowed 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 125.354 1.462 . . . . 0.0 112.879 -140.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.27 -56.23 26.37 Favored Glycine 0 CA--C 1.571 3.567 1 CA-C-O 112.34 -4.589 . . . . 0.0 115.583 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.3 146.17 76.6 Favored 'Cis proline' 0 C--N 1.387 2.573 1 CA-C-N 127.075 5.437 . . . . 0.0 112.772 -0.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.26 126.05 0.83 Allowed Glycine 0 CA--C 1.554 2.495 1 CA-C-O 113.006 -4.219 . . . . 0.0 114.436 172.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.76 76.84 3.18 Favored 'Trans proline' 0 C--N 1.391 2.795 1 CA-C-N 126.15 4.975 . . . . 0.0 113.323 168.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.339 3.0 pm0 163.19 -49.28 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 127.949 2.499 . . . . 0.0 107.769 -167.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 124.601 2.143 . . . . 0.0 110.962 -178.344 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 122.145 0.974 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.318 0.2 OUTLIER 52.56 121.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 127.594 2.358 . . . . 0.0 115.201 172.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.268 47.8 mmtt 41.1 68.49 0.43 Allowed 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 126.933 2.093 . . . . 0.0 115.842 -173.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -144.78 -74.79 0.24 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -149.17 113.39 5.21 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 163.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.27 6.9 t80 67.48 100.36 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 2 O-C-N 114.038 -5.414 . . . . 0.0 109.696 6.008 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.25 85.27 7.24 Favored 'General case' 0 N--CA 1.487 1.408 2 O-C-N 114.611 -5.056 . . . . 0.0 113.235 10.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.062 107.161 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 117.091 1.597 . . . . 0.0 117.091 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.6 -67.29 0.12 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -176.067 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 145.58 25.98 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.142 1.377 . . . . 0.0 109.383 162.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.41 -74.92 0.2 Allowed Glycine 0 CA--C 1.553 2.419 1 CA-C-O 113.026 -4.208 . . . . 0.0 108.361 175.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -72.63 146.36 86.39 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 126.136 4.968 . . . . 0.0 113.287 0.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.21 -149.86 5.1 Favored Glycine 0 CA--C 1.571 3.55 0 CA-C-O 114.533 -3.371 . . . . 0.0 115.329 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -78.4 134.45 33.5 Favored 'Cis proline' 0 C--N 1.39 2.739 1 CA-C-N 125.581 4.691 . . . . 0.0 112.595 5.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -164.26 -37.95 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.958 1.703 . . . . 0.0 111.863 166.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 122.881 1.324 . . . . 0.0 109.21 -165.452 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -77.24 148.5 35.76 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.349 1.06 . . . . 0.0 113.258 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.36 64.3 mmtt 52.59 77.19 0.16 Allowed 'General case' 0 CA--C 1.581 2.173 0 C-N-CA 127.49 2.316 . . . . 0.0 114.767 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.15 138.77 42.25 Favored 'General case' 0 N--CA 1.494 1.746 1 O-C-N 115.218 -4.676 . . . . 0.0 110.625 -9.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -133.12 134.82 44.72 Favored 'General case' 0 N--CA 1.494 1.767 2 CA-C-N 129.176 5.444 . . . . 0.0 107.765 -8.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.8 -55.13 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 1 O-C-N 114.961 -4.837 . . . . 0.0 114.403 55.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.342 0.0 OUTLIER 151.72 -50.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 127.864 2.466 . . . . 0.0 105.763 -137.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.349 0 C-N-CA 128.688 2.795 . . . . 0.0 113.437 -160.668 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.745 0 N-CA-C 115.099 0.8 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 13.2 m-85 55.1 42.19 31.01 Favored 'General case' 0 CA--C 1.59 2.513 0 C-N-CA 126.884 2.073 . . . . 0.0 114.879 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -152.19 115.8 4.81 Favored 'General case' 0 N--CA 1.497 1.875 2 O-C-N 112.223 -6.548 . . . . 0.0 106.879 -8.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.24 80.46 0.88 Allowed Glycine 0 CA--C 1.559 2.842 1 CA-C-O 112.61 -4.439 . . . . 0.0 113.454 147.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -60.57 147.99 46.21 Favored 'Cis proline' 0 C--N 1.392 2.865 1 CA-C-N 126.459 5.129 . . . . 0.0 114.864 4.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.89 0.17 Allowed Glycine 0 CA--C 1.568 3.405 1 CA-C-O 112.894 -4.281 . . . . 0.0 115.982 -162.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.419 1.3 Cg_exo 11.51 -97.76 0.0 OUTLIER 'Cis proline' 0 C--N 1.389 2.661 2 CA-C-N 128.225 6.013 . . . . 0.0 123.085 27.131 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.259 1.8 pm0 -133.84 -47.7 0.8 Allowed 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 122.106 2.23 . . . . 0.0 115.04 -165.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.579 1.657 . . . . 0.0 107.717 -178.834 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.6 ptm -31.06 145.58 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.225 0 N-CA-C 119.976 3.324 . . . . 0.0 119.976 -172.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.274 10.6 mmpt? 66.08 81.6 0.2 Allowed 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 127.019 2.128 . . . . 0.0 111.198 -178.064 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.7 mt -146.85 -73.98 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -178.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -138.5 -54.31 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.427 1.491 . . . . 0.0 112.032 167.173 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.383 0.0 OUTLIER 66.69 159.45 0.14 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 123.4 1.571 . . . . 0.0 114.333 144.5 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -48.59 0.7 Allowed 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.5 173.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.356 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -151.2 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.334 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 -2.36 1.21 Allowed 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -149.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtt-85 -128.77 -53.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.962 -1.495 . . . . 0.0 112.813 -148.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.36 -45.51 90.34 Favored Glycine 0 CA--C 1.574 3.77 1 CA-C-O 111.563 -5.02 . . . . 0.0 117.06 -175.083 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.01 149.92 94.92 Favored 'Cis proline' 0 C--N 1.391 2.815 1 CA-C-N 128.815 6.307 . . . . 0.0 113.301 4.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.0 -151.23 5.45 Favored Glycine 0 CA--C 1.567 3.324 0 CA-C-O 114.575 -3.347 . . . . 0.0 116.71 -175.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -82.81 139.57 38.51 Favored 'Cis proline' 0 C--N 1.389 2.682 1 CA-C-N 125.049 4.424 . . . . 0.0 112.769 10.195 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.486 HE21 ' HG ' ' A' ' 21' ' ' LEU 0.279 3.6 pm0 -167.21 -41.06 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.367 -1.778 . . . . 0.0 112.52 170.231 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' HE21 ' A' ' 20' ' ' GLN . 16.3 mt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 125.311 2.481 . . . . 0.0 113.029 -153.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 121.824 0.821 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.294 0.3 OUTLIER 55.0 94.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.664 2.386 . . . . 0.0 114.512 173.277 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.389 9.3 mmmm 70.85 107.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 126.658 1.983 . . . . 0.0 114.416 154.362 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt 65.49 168.74 0.2 Allowed 'General case' 0 N--CA 1.521 3.101 1 CA-C-N 126.435 4.198 . . . . 0.0 110.756 -3.006 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -128.9 111.52 13.14 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -143.48 140.07 30.16 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -174.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -25.55 -10.95 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.106 1 N-CA-C 124.453 4.983 . . . . 0.0 124.453 134.258 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.516 1 N-CA-C 121.959 4.059 . . . . 0.0 121.959 -120.162 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 105.975 -2.85 . . . . 0.0 105.975 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -88.66 66.44 8.11 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.667 1.223 . . . . 0.0 111.84 -145.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -143.03 -77.57 0.24 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 116.739 -1.6 . . . . 0.0 108.548 -141.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.8 96.42 0.01 OUTLIER Glycine 0 CA--C 1.57 3.48 1 CA-C-O 112.241 -4.644 . . . . 0.0 113.775 -170.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.37 82.25 0.05 OUTLIER 'Cis proline' 0 C--N 1.386 2.51 1 CA-C-N 126.865 5.332 . . . . 0.0 113.931 14.006 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.02 -156.44 0.66 Allowed Glycine 1 CA--C 1.58 4.113 0 CA-C-O 114.575 -3.347 . . . . 0.0 118.662 166.028 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.77 169.74 31.43 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 125.094 4.447 . . . . 0.0 114.376 -8.835 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.85 -1.02 50.34 Favored 'General case' 0 N--CA 1.512 2.656 2 O-C-N 113.878 -5.514 . . . . 0.0 116.083 -2.621 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 125.15 2.405 . . . . 0.0 110.144 167.782 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.1 ttp -46.71 143.73 2.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.309 19.4 mmtp 54.35 72.16 0.47 Allowed 'General case' 0 CA--C 1.581 2.172 0 C-N-CA 126.98 2.112 . . . . 0.0 111.638 -176.289 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -46.88 142.31 3.5 Favored 'General case' 0 N--CA 1.5 2.025 2 O-C-N 113.655 -5.653 . . . . 0.0 119.12 14.552 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.484 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 78.3 p -143.22 -49.16 0.32 Allowed 'General case' 0 N--CA 1.495 1.775 2 CA-C-N 127.206 4.548 . . . . 0.0 113.269 -17.559 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' ' H ' ' A' ' 6' ' ' SER . 1.4 p90 -153.04 138.33 17.5 Favored 'General case' 0 N--CA 1.493 1.677 2 CA-C-N 131.138 6.335 . . . . 0.0 107.812 5.725 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.54 -14.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.994 1 N-CA-C 124.071 4.841 . . . . 0.0 124.071 146.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.63 0 N-CA-C 121.231 3.789 . . . . 0.0 121.231 -119.963 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.511 0 N-CA-C 117.635 1.814 . . . . 0.0 117.635 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.479 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -156.38 -22.63 0.1 Allowed 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.928 1.291 . . . . 0.0 112.223 -166.14 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG3' ' H ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -144.78 159.95 42.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 119.281 -2.137 . . . . 0.0 111.642 -93.47 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.23 65.79 1.26 Allowed Glycine 0 CA--C 1.562 3.011 1 CA-C-O 112.341 -4.588 . . . . 0.0 110.222 -167.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -75.88 136.26 43.89 Favored 'Cis proline' 0 C--N 1.392 2.849 1 CA-C-N 127.229 5.514 . . . . 0.0 113.358 6.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.3 -132.4 0.15 Allowed Glycine 0 CA--C 1.574 3.747 0 CA-C-O 113.71 -3.828 . . . . 0.0 114.387 -176.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.63 129.89 16.44 Favored 'Cis proline' 0 C--N 1.388 2.657 1 CA-C-N 125.828 4.814 . . . . 0.0 112.61 3.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -112.69 126.05 54.97 Favored 'General case' 0 N--CA 1.498 1.941 2 CA-C-N 127.595 4.725 . . . . 0.0 108.3 17.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.289 4.4 mp . . . . . 0 N--CA 1.5 2.043 0 C-N-CA 126.625 1.97 . . . . 0.0 111.861 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.5 2.027 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -100.79 118.21 36.43 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.56 -9.56 9.19 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 176.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.85 -48.57 75.27 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 124.411 1.084 . . . . 0.0 112.678 156.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -76.08 156.99 33.39 Favored 'General case' 0 CA--C 1.58 2.126 0 O-C-N 124.499 1.125 . . . . 0.0 113.94 154.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -84.64 146.28 27.56 Favored 'General case' 0 N--CA 1.494 1.764 2 O-C-N 115.051 -4.78 . . . . 0.0 112.844 -10.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 98.54 11.55 Favored 'General case' 0 N--CA 1.486 1.364 2 O-C-N 115.609 -4.432 . . . . 0.0 109.743 2.772 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-N 112.128 -2.306 . . . . 0.0 105.97 121.156 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 106.51 -2.636 . . . . 0.0 106.51 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -141.24 46.21 1.73 Allowed 'General case' 0 N--CA 1.513 2.687 0 CA-C-N 119.293 1.547 . . . . 0.0 112.111 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -153.39 -64.22 0.15 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.608 -163.533 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.44 70.08 1.34 Allowed Glycine 0 CA--C 1.558 2.773 1 CA-C-O 112.289 -4.617 . . . . 0.0 111.028 -176.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.42 146.63 69.14 Favored 'Cis proline' 0 C--N 1.388 2.632 1 CA-C-N 127.057 5.428 . . . . 0.0 114.231 -1.187 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.07 -150.96 12.19 Favored Glycine 0 CA--C 1.578 3.979 2 CA-C-N 128.611 5.187 . . . . 0.0 113.1 9.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -88.4 129.6 9.49 Favored 'Cis proline' 0 CA--C 1.581 2.829 1 CA-C-N 126.374 5.087 . . . . 0.0 113.135 -6.185 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -132.38 100.92 5.15 Favored 'General case' 0 N--CA 1.493 1.681 2 CA-C-N 128.817 5.281 . . . . 0.0 106.105 -0.222 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.333 8.4 mt . . . . . 0 N--CA 1.495 1.791 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.049 -171.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.503 2.203 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -124.86 154.49 40.96 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.225 1.012 . . . . 0.0 109.737 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.05 116.38 27.79 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 116.883 -1.532 . . . . 0.0 108.884 -140.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.01 151.46 51.73 Favored 'General case' 0 N--CA 1.5 2.054 2 CA-C-N 128.138 4.972 . . . . 0.0 108.2 -10.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.282 45.7 t 85.19 98.68 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 127.098 2.159 . . . . 0.0 105.887 -162.023 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.283 20.5 m-85 60.72 150.25 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 2 O-C-N 115.279 -4.638 . . . . 0.0 113.981 14.215 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.03 95.88 Favored 'General case' 0 CA--C 1.575 1.933 1 O-C-N 115.726 -4.359 . . . . 0.0 114.422 3.612 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.975 2 CA-C-N 128.464 5.12 . . . . 0.0 117.249 -10.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 121.231 0.351 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.47 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 166.512 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -103.32 -39.9 6.62 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 116.184 -1.865 . . . . 0.0 115.508 -165.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -64.13 2.95 Favored Glycine 0 CA--C 1.565 3.191 1 CA-C-O 112.969 -4.24 . . . . 0.0 115.106 -163.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -69.41 143.7 73.93 Favored 'Cis proline' 0 C--N 1.389 2.672 1 CA-C-N 126.324 5.062 . . . . 0.0 113.9 8.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.37 -169.73 16.56 Favored Glycine 0 CA--C 1.575 3.783 0 CA-C-O 115.687 -2.729 . . . . 0.0 116.435 -177.137 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.72 112.52 2.63 Favored 'Cis proline' 0 C--N 1.391 2.767 1 CA-C-N 124.525 4.162 . . . . 0.0 111.028 0.419 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.73 -29.28 0.17 Allowed 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 115.654 -2.117 . . . . 0.0 115.125 177.242 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 11.3 mt . . . . . 0 N--CA 1.502 2.133 0 CA-C-N 122.273 2.306 . . . . 0.0 106.526 -162.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -162.84 124.34 2.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.375 1.07 . . . . 0.0 109.554 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.321 0.0 OUTLIER 35.21 43.14 0.11 Allowed 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 121.562 3.912 . . . . 0.0 121.562 154.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -82.59 -45.11 15.0 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 123.979 0.912 . . . . 0.0 112.348 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.328 15.8 mt 66.4 59.24 0.65 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 127.308 2.243 . . . . 0.0 114.141 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -155.11 81.71 1.07 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 147.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.02 179.01 7.91 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.167 0.987 . . . . 0.0 109.317 -167.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -50.95 21.66 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 115.2 -2.333 . . . . 0.0 110.43 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.287 . . -89.98 -157.48 0.47 Allowed 'General case' 0 CA--C 1.563 1.459 2 CA-C-N 129.054 5.388 . . . . 0.0 109.301 -15.227 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -126.02 -42.74 1.86 Allowed 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -145.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.43 -20.21 0.69 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 -158.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -84.06 -48.66 9.67 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.112 -159.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.38 -51.25 0.27 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -144.09 75.22 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.81 1.644 . . . . 0.0 106.749 -152.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -115.98 122.84 46.44 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -133.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.82 73.6 1.23 Allowed Glycine 0 CA--C 1.561 2.927 1 CA-C-O 112.831 -4.316 . . . . 0.0 112.401 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.14 123.0 7.61 Favored 'Cis proline' 0 C--N 1.393 2.908 1 CA-C-N 126.524 5.162 . . . . 0.0 111.546 5.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.93 82.87 0.35 Allowed Glycine 0 N--CA 1.477 1.403 0 CA-C-O 113.568 -3.907 . . . . 0.0 111.748 -164.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -61.16 138.75 79.81 Favored 'Trans proline' 0 CA--C 1.579 2.744 1 CA-C-N 124.488 4.144 . . . . 0.0 115.557 166.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.1 62.29 1.27 Allowed 'General case' 0 N--CA 1.503 2.19 2 CA-C-N 128.174 4.988 . . . . 0.0 111.607 -0.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.918 2.295 . . . . 0.0 106.002 141.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 119.596 -0.24 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -132.43 87.71 2.45 Favored 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 104.083 -2.562 . . . . 0.0 104.083 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.8 tpt -149.71 138.18 20.73 Favored 'General case' 0 N--CA 1.498 1.926 2 O-C-N 114.56 -5.088 . . . . 0.0 107.085 -5.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -88.39 90.74 8.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.485 1.114 . . . . 0.0 108.715 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -145.15 -75.88 0.22 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.02 138.8 31.21 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 116.855 -1.545 . . . . 0.0 110.152 123.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.77 177.75 7.74 Favored 'General case' 0 CA--C 1.584 2.287 2 CA-C-N 128.632 5.196 . . . . 0.0 109.123 -6.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.453 HH21 HH11 ' A' ' 10' ' ' ARG . 6.7 ptt180 -23.17 -9.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.789 1 N-CA-C 124.24 4.904 . . . . 0.0 124.24 146.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.271 . . -82.02 -142.88 0.05 Allowed 'General case' 0 CA--C 1.568 1.641 0 O-C-N 118.388 -2.695 . . . . 0.0 114.657 -85.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.453 HH11 HH21 ' A' ' 8' ' ' ARG . 71.6 mtm180 -168.88 -39.67 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.278 0 C-N-CA 125.613 1.565 . . . . 0.0 108.54 -127.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.1 -15.76 0.68 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -130.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -135.51 -60.92 0.74 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.406 1.482 . . . . 0.0 109.51 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.1 118.92 3.57 Favored Glycine 0 C--N 1.362 2.012 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 166.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -88.39 63.01 6.9 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 122.433 1.111 . . . . 0.0 112.289 -147.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -151.66 -68.16 0.17 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 116.943 -1.503 . . . . 0.0 108.323 -160.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.98 79.5 0.85 Allowed Glycine 0 CA--C 1.56 2.858 1 CA-C-O 112.414 -4.548 . . . . 0.0 110.429 -175.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.06 157.31 97.51 Favored 'Cis proline' 0 C--N 1.385 2.457 1 CA-C-N 126.5 5.15 . . . . 0.0 114.336 13.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.82 -118.83 0.24 Allowed Glycine 0 CA--C 1.563 3.056 1 CA-C-O 112.269 -4.628 . . . . 0.0 113.208 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -64.9 148.4 72.18 Favored 'Cis proline' 0 C--N 1.39 2.753 1 CA-C-N 127.162 5.481 . . . . 0.0 117.208 13.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.11 -13.43 4.51 Favored 'General case' 0 N--CA 1.513 2.721 2 CA-C-N 127.166 4.53 . . . . 0.0 114.367 -7.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.364 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 126.888 2.075 . . . . 0.0 114.025 170.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p 49.2 113.41 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 126.816 2.046 . . . . 0.0 115.616 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.0 tpt 46.56 119.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 127.06 2.144 . . . . 0.0 115.241 171.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.347 11.1 mmpt? 68.63 89.51 0.1 Allowed 'General case' 0 CA--C 1.584 2.276 0 C-N-CA 126.89 2.076 . . . . 0.0 111.184 174.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -148.74 105.33 3.55 Favored 'General case' 0 N--CA 1.492 1.625 2 O-C-N 115.582 -4.449 . . . . 0.0 109.263 -4.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -156.57 57.13 0.56 Allowed 'General case' 0 CA--C 1.592 2.583 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 149.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.67 171.38 8.43 Favored 'General case' 0 N--CA 1.494 1.735 2 O-C-N 111.844 -6.785 . . . . 0.0 114.121 4.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -16.8 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.339 1 N-CA-C 122.279 4.177 . . . . 0.0 122.279 158.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 18.0 83.4 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 121.281 3.808 . . . . 0.0 121.281 -153.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.285 0.2 OUTLIER 46.35 -70.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 114.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.4 -73.65 0.66 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 114.479 -2.677 . . . . 0.0 112.111 -144.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.47 137.98 31.86 Favored 'General case' 0 N--CA 1.492 1.668 2 CA-C-N 132.217 6.826 . . . . 0.0 107.972 -6.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.4 116.37 0.67 Allowed Glycine 0 CA--C 1.546 2.018 0 CA-C-O 117.536 -1.702 . . . . 0.0 115.664 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -117.16 93.25 4.11 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 123.042 3.421 . . . . 0.0 106.544 -81.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.47 -26.8 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 C-N-CA 126.078 1.751 . . . . 0.0 115.17 -154.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.94 74.42 1.12 Allowed Glycine 0 CA--C 1.554 2.51 1 CA-C-O 112.724 -4.376 . . . . 0.0 106.149 -162.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -60.56 136.52 16.39 Favored 'Cis proline' 0 C--N 1.394 2.936 1 CA-C-N 126.261 5.031 . . . . 0.0 118.51 12.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.72 161.14 15.07 Favored Glycine 0 CA--C 1.569 3.443 0 CA-C-O 115.608 -2.773 . . . . 0.0 116.799 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -71.18 116.48 3.11 Favored 'Cis proline' 0 C--N 1.392 2.868 1 CA-C-N 125.088 4.444 . . . . 0.0 109.657 -9.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.316 0.0 OUTLIER 72.87 -41.46 0.5 Allowed 'General case' 0 N--CA 1.519 2.997 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 124.77 2.224 . . . . 0.0 111.477 174.321 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.256 22.7 t 66.33 89.21 0.1 Allowed 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 127.048 2.139 . . . . 0.0 110.935 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.448 ' H ' ' HA ' ' A' ' 21' ' ' LEU . 60.4 mmm -147.36 144.3 28.63 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.809 -160.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -74.55 -64.46 1.03 Allowed 'General case' 0 N--CA 1.504 2.273 2 O-C-N 114.968 -4.833 . . . . 0.0 109.9 -9.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -135.6 -64.55 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.012 1.278 . . . . 0.0 108.301 152.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -102.65 121.7 42.94 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 165.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.305 82.9 t80 -102.93 -101.22 0.29 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -136.27 -59.93 0.73 Allowed 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 115.64 -2.124 . . . . 0.0 105.856 -170.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.94 147.44 42.25 Favored 'General case' 0 N--CA 1.491 1.578 2 CA-C-N 128.921 5.328 . . . . 0.0 109.477 -6.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.39 -26.87 0.81 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -148.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.35 110.13 4.5 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.349 34.6 p90 49.66 73.75 0.23 Allowed 'General case' 0 CA--C 1.583 2.247 0 C-N-CA 125.748 1.619 . . . . 0.0 113.176 -162.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.45 -136.03 7.7 Favored Glycine 0 N--CA 1.485 1.927 2 O-C-N 114.702 -4.999 . . . . 0.0 111.287 10.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -143.72 14.49 1.75 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 124.854 1.262 . . . . 0.0 112.363 -157.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -139.78 -59.91 0.55 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 116.57 -1.681 . . . . 0.0 108.93 -127.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.81 104.85 0.92 Allowed Glycine 0 CA--C 1.556 2.61 1 CA-C-O 112.669 -4.406 . . . . 0.0 112.59 164.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -82.22 85.76 0.03 OUTLIER 'Cis proline' 0 C--N 1.39 2.732 1 CA-C-N 126.798 5.299 . . . . 0.0 110.245 -3.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.66 49.51 Favored Glycine 1 CA--C 1.578 4.012 0 CA-C-O 115.364 -2.909 . . . . 0.0 115.309 -175.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.45 155.32 70.96 Favored 'Cis proline' 0 C--N 1.386 2.546 1 CA-C-N 124.805 4.302 . . . . 0.0 116.405 -3.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.269 0.0 OUTLIER -91.11 -32.35 15.89 Favored 'General case' 0 N--CA 1.51 2.553 2 O-C-N 115.828 -4.295 . . . . 0.0 113.711 -6.897 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HA ' ' H ' ' A' ' 3' ' ' MET . 32.7 mt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 123.108 1.432 . . . . 0.0 112.375 -176.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 CA--C 1.558 1.271 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -155.67 134.89 12.25 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.116 1.366 . . . . 0.0 108.558 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.299 0.0 OUTLIER -63.21 169.69 3.38 Favored 'General case' 0 CA--C 1.576 1.973 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -173.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.278 10.6 mmpt? 65.97 42.14 3.44 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.721 1.608 . . . . 0.0 113.934 -161.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -151.17 -76.93 0.14 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 160.5 14.48 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.311 1.444 . . . . 0.0 109.2 158.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.31 26.48 Favored 'General case' 0 CA--C 1.584 2.272 0 C-N-CA 124.001 0.92 . . . . 0.0 112.063 -169.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -120.35 109.31 15.2 Favored 'General case' 0 C--N 1.366 1.312 2 O-C-N 113.538 -5.726 . . . . 0.0 110.014 12.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' H ' ' A' ' 11' ' ' ALA . . . -152.57 134.82 15.03 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 112.932 -1.94 . . . . 0.0 110.57 145.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.453 1.2 mmp_? 92.02 -69.06 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.634 3 O-C-N 113.115 -5.99 . . . . 0.0 112.157 1.391 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' H ' ' HB1' ' A' ' 9' ' ' ALA . . . -135.87 -38.56 0.71 Allowed 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -162.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.304 1.3 m-30 88.74 88.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 127.909 2.484 . . . . 0.0 111.189 162.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.47 56.16 0.05 OUTLIER Glycine 0 N--CA 1.493 2.461 0 N-CA-C 117.41 1.724 . . . . 0.0 117.41 156.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.25 0.0 OUTLIER -166.01 -55.78 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.483 0 C-N-CA 124.696 1.198 . . . . 0.0 109.911 -167.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -154.04 132.67 12.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.433 1.493 . . . . 0.0 107.15 -161.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.78 -65.66 0.38 Allowed Glycine 0 CA--C 1.562 2.981 1 CA-C-O 112.616 -4.436 . . . . 0.0 110.848 -172.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.71 144.93 75.45 Favored 'Cis proline' 0 C--N 1.388 2.658 1 CA-C-N 127.065 5.433 . . . . 0.0 112.946 6.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.7 -160.97 21.08 Favored Glycine 1 CA--C 1.579 4.044 0 CA-C-O 115.159 -3.023 . . . . 0.0 114.534 169.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -79.54 112.85 2.74 Favored 'Cis proline' 0 C--N 1.39 2.731 1 CA-C-N 125.63 4.715 . . . . 0.0 111.669 1.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.348 2.7 pm0 165.29 -50.59 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 127.495 2.318 . . . . 0.0 107.558 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.499 2.003 0 C-N-CA 125.173 1.389 . . . . 0.0 112.882 -175.146 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m 57.17 93.94 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 126.713 2.005 . . . . 0.0 113.54 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.261 0.4 OUTLIER 59.23 127.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 127.224 2.21 . . . . 0.0 112.856 178.048 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -153.99 -56.13 0.11 Allowed 'General case' 0 CA--C 1.579 2.065 0 CA-C-O 114.655 -2.593 . . . . 0.0 109.06 172.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.92 -87.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.86 2 CA-C-N 131.2 6.364 . . . . 0.0 107.245 7.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 t 23.35 67.49 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.889 2.922 . . . . 0.0 118.889 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.273 55.6 t80 -123.61 -121.22 0.27 Allowed 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 105.172 -2.159 . . . . 0.0 105.172 -166.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.24 0.76 0.1 Allowed 'General case' 0 CA--C 1.576 1.975 0 C-N-CA 127.53 2.332 . . . . 0.0 112.325 -164.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.37 26.2 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 117.036 2.236 . . . . 0.0 117.036 -121.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -158.55 -57.98 0.07 Allowed 'General case' 0 CA--C 1.572 1.807 0 CA-C-N 113.254 -1.793 . . . . 0.0 108.559 -125.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.87 57.36 1.46 Allowed 'General case' 0 CA--C 1.568 1.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.366 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -153.18 -64.94 0.15 Allowed 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 117.206 -1.378 . . . . 0.0 110.951 -167.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.74 110.79 0.24 Allowed Glycine 0 C--N 1.36 1.881 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 -158.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.04 109.25 21.08 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -129.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -150.55 89.53 1.57 Allowed 'General case' 0 N--CA 1.503 2.199 2 O-C-N 115.004 -4.81 . . . . 0.0 108.529 18.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.09 87.53 0.08 OUTLIER Glycine 0 CA--C 1.566 3.263 1 CA-C-O 112.136 -4.702 . . . . 0.0 114.868 168.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.3 152.49 96.23 Favored 'Cis proline' 0 C--N 1.386 2.502 1 CA-C-N 127.066 5.433 . . . . 0.0 113.097 3.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.17 -92.23 1.14 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 113.342 -4.032 . . . . 0.0 110.136 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.71 158.81 87.27 Favored 'Cis proline' 0 CA--C 1.573 2.466 1 CA-C-N 125.413 4.606 . . . . 0.0 114.894 1.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.456 HE21 ' H ' ' A' ' 20' ' ' GLN 0.262 0.0 OUTLIER -76.58 -52.34 9.91 Favored 'General case' 0 N--CA 1.511 2.612 1 O-C-N 115.758 -4.339 . . . . 0.0 112.145 14.799 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 124.443 2.068 . . . . 0.0 110.301 -169.011 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -138.42 68.82 1.38 Allowed 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 172.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 ttp -150.67 140.17 21.51 Favored 'General case' 0 N--CA 1.497 1.901 2 O-C-N 113.584 -5.698 . . . . 0.0 107.466 -9.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 66.48 87.0 0.13 Allowed 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 126.823 2.049 . . . . 0.0 108.683 -173.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -75.78 134.22 40.49 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.926 0.491 . . . . 0.0 110.545 -152.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 63.91 88.34 0.1 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 126.486 1.915 . . . . 0.0 111.136 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.276 79.9 t80 -111.44 -88.64 0.52 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -162.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -58.5 0.1 Allowed 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.229 -2.319 . . . . 0.0 107.001 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.54 143.87 51.02 Favored 'General case' 0 C--N 1.374 1.658 2 CA-C-N 129.523 5.601 . . . . 0.0 111.052 3.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.65 -34.4 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -139.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.09 -34.29 43.7 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -170.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 -47.43 0.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.835 1.654 . . . . 0.0 110.381 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.32 114.54 3.09 Favored Glycine 0 C--N 1.358 1.8 0 N-CA-C 106.886 -2.486 . . . . 0.0 106.886 168.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -83.52 47.41 1.27 Allowed 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -161.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -141.34 -62.6 0.47 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.557 -1.687 . . . . 0.0 110.843 -138.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.78 73.29 1.08 Allowed Glycine 0 CA--C 1.562 2.993 1 CA-C-O 112.539 -4.479 . . . . 0.0 112.651 -177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -69.93 156.82 93.06 Favored 'Cis proline' 0 C--N 1.389 2.671 1 CA-C-N 126.979 5.389 . . . . 0.0 114.16 2.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.51 -111.34 0.01 OUTLIER Glycine 0 CA--C 1.565 3.205 1 CA-C-O 112.033 -4.76 . . . . 0.0 114.387 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.499 ' HB2' HE21 ' A' ' 20' ' ' GLN . 38.5 Cg_exo -75.86 153.85 98.1 Favored 'Cis proline' 0 CA--C 1.578 2.703 1 CA-C-N 127.526 5.663 . . . . 0.0 116.332 8.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.499 HE21 ' HB2' ' A' ' 19' ' ' PRO . 1.7 mp0 -105.85 62.55 0.67 Allowed 'General case' 0 N--CA 1.511 2.603 2 CA-C-N 127.871 4.85 . . . . 0.0 108.531 -6.527 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.28 19.9 mt . . . . . 0 N--CA 1.499 1.99 0 C-N-CA 126.502 1.921 . . . . 0.0 112.55 -164.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 56.52 114.58 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 126.774 2.03 . . . . 0.0 113.927 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.552 ' H ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mmm -143.44 132.96 23.54 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.862 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 22.66 14.07 Favored 'General case' 0 CA--C 1.597 2.781 2 O-C-N 114.35 -5.219 . . . . 0.0 115.129 12.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.48 160.88 14.56 Favored 'General case' 0 N--CA 1.489 1.487 2 O-C-N 110.329 -7.732 . . . . 0.0 108.849 5.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p 74.95 116.88 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 127.14 2.176 . . . . 0.0 111.07 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -130.18 -81.77 0.55 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.351 1.032 . . . . 0.0 108.39 -165.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 31.2 ptt180 147.47 -57.95 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 C-N-CA 126.098 1.759 . . . . 0.0 106.697 -132.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 47.63 101.83 0.01 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.162 2.985 . . . . 0.0 116.499 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.96 -30.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 111.842 -2.435 . . . . 0.0 113.733 -148.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.43 -17.37 18.82 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 116.685 2.106 . . . . 0.0 116.685 167.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -114.31 -49.34 2.84 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.773 1.629 . . . . 0.0 112.231 -169.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.73 116.98 0.75 Allowed Glycine 0 C--N 1.361 1.953 0 N-CA-C 106.314 -2.715 . . . . 0.0 106.314 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -92.74 71.26 4.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.513 1.149 . . . . 0.0 110.453 -139.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -145.31 -70.54 0.27 Allowed 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.059 -141.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.94 93.15 0.06 OUTLIER Glycine 0 CA--C 1.565 3.158 1 CA-C-O 112.263 -4.632 . . . . 0.0 113.648 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.54 78.6 0.09 OUTLIER 'Cis proline' 0 C--N 1.389 2.693 1 CA-C-N 126.965 5.383 . . . . 0.0 113.637 5.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.5 -148.72 50.5 Favored Glycine 0 CA--C 1.573 3.699 0 CA-C-O 114.48 -3.4 . . . . 0.0 118.083 165.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.28 150.35 79.49 Favored 'Cis proline' 0 C--N 1.391 2.765 1 CA-C-N 124.708 4.254 . . . . 0.0 114.892 3.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.49 3.49 2.8 Favored 'General case' 0 N--CA 1.516 2.837 2 O-C-N 115.316 -4.615 . . . . 0.0 115.347 5.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' H ' ' A' ' 3' ' ' MET 0.377 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.452 0 C-N-CA 125.911 1.685 . . . . 0.0 114.947 165.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -129.19 -53.18 1.19 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 117.588 -1.196 . . . . 0.0 113.157 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -12.38 152.83 0.0 OUTLIER 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 121.569 3.915 . . . . 0.0 121.569 166.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -85.39 96.27 9.51 Favored 'General case' 0 N--CA 1.496 1.87 2 CA-C-N 128.032 4.924 . . . . 0.0 106.825 -11.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 tp -125.96 -76.52 0.58 Allowed 'General case' 0 CA--C 1.561 1.366 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -136.46 119.65 16.65 Favored 'General case' 0 C--N 1.363 1.168 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 161.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -106.13 154.15 21.07 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -78.97 29.11 0.21 Allowed 'General case' 0 N--CA 1.511 2.582 1 O-C-N 115.626 -4.421 . . . . 0.0 113.194 -8.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.01 95.77 0.29 Allowed 'General case' 0 CA--C 1.575 1.927 0 O-C-N 116.918 -3.614 . . . . 0.0 116.249 -91.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.17 106.74 4.08 Favored 'General case' 0 N--CA 1.488 1.433 1 O-C-N 116.053 -4.154 . . . . 0.0 107.005 -12.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.252 . . 61.5 94.11 0.04 OUTLIER 'General case' 0 CA--C 1.577 2.016 0 C-N-CA 127.326 2.251 . . . . 0.0 114.891 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.77 88.92 5.12 Favored 'General case' 0 N--CA 1.494 1.762 1 O-C-N 114.743 -4.973 . . . . 0.0 106.127 -38.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.58 -171.76 14.01 Favored Glycine 0 CA--C 1.568 3.396 0 CA-C-O 118.571 -1.127 . . . . 0.0 115.673 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.4 71.08 1.26 Allowed 'General case' 0 N--CA 1.509 2.492 2 CA-C-N 126.529 5.164 . . . . 0.0 109.702 11.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -149.47 -46.92 0.14 Allowed 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.931 -150.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.38 97.53 Favored Glycine 0 CA--C 1.573 3.714 1 CA-C-O 111.626 -4.986 . . . . 0.0 118.794 -169.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.89 145.79 85.0 Favored 'Cis proline' 0 C--N 1.392 2.842 1 CA-C-N 128.558 6.179 . . . . 0.0 113.369 13.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.82 165.62 12.06 Favored Glycine 0 CA--C 1.575 3.801 0 CA-C-O 115.743 -2.698 . . . . 0.0 116.279 -177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.63 128.75 16.35 Favored 'Cis proline' 0 C--N 1.393 2.881 1 CA-C-N 124.209 4.005 . . . . 0.0 111.036 6.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 0.0 OUTLIER -131.93 -46.28 0.94 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 125.134 1.521 . . . . 0.0 111.161 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 125.014 2.34 . . . . 0.0 111.044 173.439 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t 49.63 99.15 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 126.752 2.021 . . . . 0.0 115.452 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.0 mmm -140.36 123.02 16.28 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.426 -1.273 . . . . 0.0 108.026 171.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -76.22 -59.01 2.95 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 114.447 -5.158 . . . . 0.0 110.869 -4.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -146.28 -55.51 0.27 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 121.594 1.997 . . . . 0.0 112.527 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -89.38 -61.68 1.65 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.94 -161.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.312 55.8 t80 -124.49 -89.95 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 2 CA-C-N 130.692 6.133 . . . . 0.0 106.608 -2.058 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -147.2 -62.59 0.28 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -167.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.08 164.51 17.6 Favored 'General case' 0 N--CA 1.492 1.636 2 CA-C-N 129.218 5.463 . . . . 0.0 110.452 -6.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -132.59 -36.1 1.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.885 -150.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.71 -4.05 13.46 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -163.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -152.02 -56.0 0.14 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.448 2.299 . . . . 0.0 109.776 -164.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.08 112.3 2.27 Favored Glycine 0 C--N 1.361 1.922 0 N-CA-C 105.436 -3.066 . . . . 0.0 105.436 167.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -85.79 52.09 2.38 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-O 123.384 1.564 . . . . 0.0 113.078 -162.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER 176.23 -49.9 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 124.869 1.268 . . . . 0.0 110.857 -140.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.93 -146.89 17.57 Favored Glycine 0 CA--C 1.56 2.876 0 CA-C-O 114.782 -3.232 . . . . 0.0 110.358 -165.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -72.34 107.04 2.18 Favored 'Trans proline' 0 C--N 1.39 2.737 1 CA-C-N 127.044 5.422 . . . . 0.0 113.286 -161.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.67 -143.85 6.32 Favored Glycine 0 CA--C 1.574 3.755 2 CA-C-N 128.613 5.188 . . . . 0.0 111.656 4.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -69.87 151.83 92.06 Favored 'Cis proline' 0 C--N 1.386 2.533 1 CA-C-N 125.382 4.591 . . . . 0.0 114.931 -5.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -37.81 12.49 Favored 'General case' 0 N--CA 1.524 3.249 2 O-C-N 115.514 -4.492 . . . . 0.0 112.962 -10.303 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 124.926 2.298 . . . . 0.0 110.155 -169.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m 57.57 135.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 127.428 2.291 . . . . 0.0 113.791 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.355 1.5 tpt -80.79 -68.15 0.71 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 117.515 -1.231 . . . . 0.0 111.147 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.7 -9.63 21.32 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 169.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.307 11.6 mt 66.09 67.21 0.47 Allowed 'General case' 0 N--CA 1.509 2.5 0 C-N-CA 127.473 2.309 . . . . 0.0 112.409 -169.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -159.98 -172.89 3.81 Favored 'General case' 0 CA--C 1.601 2.921 0 CA-C-N 112.159 -2.291 . . . . 0.0 107.499 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.06 -67.5 0.84 Allowed 'General case' 0 N--CA 1.493 1.711 2 O-C-N 110.847 -7.408 . . . . 0.0 109.453 -9.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -65.36 0.09 Allowed 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 101.978 -3.342 . . . . 0.0 101.978 -153.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.08 169.26 13.58 Favored 'General case' 0 C--N 1.376 1.753 2 CA-C-N 129.437 5.562 . . . . 0.0 113.018 2.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 -31.76 0.16 Allowed 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 125.412 1.485 . . . . 0.0 114.608 -142.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.17 117.8 13.93 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.338 20.0 p90 47.39 80.27 0.05 Allowed 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 126.007 1.723 . . . . 0.0 113.268 -164.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.14 -131.44 6.08 Favored Glycine 0 N--CA 1.483 1.806 2 O-C-N 114.784 -4.947 . . . . 0.0 108.57 -3.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' H ' ' HD2' ' A' ' 15' ' ' ARG . 5.6 m-85 -140.24 43.93 1.89 Allowed 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.645 0.778 . . . . 0.0 110.79 -165.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HD2' ' H ' ' A' ' 14' ' ' PHE 0.274 0.0 OUTLIER -143.72 -74.22 0.26 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 116.537 -1.697 . . . . 0.0 108.945 -155.998 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.722 ' H ' HE22 ' A' ' 20' ' ' GLN . . . 75.4 109.09 0.1 Allowed Glycine 0 CA--C 1.565 3.186 1 CA-C-O 111.523 -5.043 . . . . 0.0 112.467 -178.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -88.0 157.87 43.58 Favored 'Cis proline' 0 C--N 1.388 2.607 1 CA-C-N 128.12 5.96 . . . . 0.0 114.065 2.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.99 -166.59 34.7 Favored Glycine 0 CA--C 1.576 3.845 0 CA-C-O 115.276 -2.958 . . . . 0.0 114.37 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -108.3 16.19 0.1 Allowed 'Trans proline' 0 CA--C 1.601 3.874 1 CA-C-N 125.253 4.526 . . . . 0.0 121.98 159.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.722 HE22 ' H ' ' A' ' 16' ' ' GLY 0.468 0.9 OUTLIER 64.63 -55.75 0.27 Allowed 'General case' 0 N--CA 1.496 1.834 2 CA-C-N 133.954 7.615 . . . . 0.0 115.217 19.131 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 5.5 mp . . . . . 0 N--CA 1.497 1.896 0 C-N-CA 128.296 2.638 . . . . 0.0 113.789 171.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' H ' HE22 ' A' ' 20' ' ' GLN . 15.2 t 61.51 134.42 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 126.495 1.918 . . . . 0.0 113.197 177.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.9 ptm -65.49 153.41 41.48 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 117.101 2.259 . . . . 0.0 117.101 -170.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.58 100.3 10.14 Favored 'General case' 0 N--CA 1.493 1.709 2 CA-C-N 127.679 4.763 . . . . 0.0 104.964 -18.233 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.7 mt -139.86 -72.13 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -94.1 123.22 37.34 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 116.379 -1.772 . . . . 0.0 107.69 150.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -142.8 -85.02 0.16 Allowed 'General case' 0 N--CA 1.496 1.859 2 CA-C-N 128.549 5.159 . . . . 0.0 110.42 -0.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 13.77 0.95 Allowed 'General case' 0 CA--C 1.591 2.549 0 C-N-CA 126.855 2.062 . . . . 0.0 113.508 -166.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.265 . . -81.28 179.55 7.8 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 117.371 -3.331 . . . . 0.0 116.058 -83.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -172.69 -49.33 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.922 0 CA-C-N 114.332 -1.303 . . . . 0.0 109.654 -105.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.91 108.57 3.66 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 -172.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.312 23.3 p90 47.93 93.22 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.291 0 C-N-CA 125.972 1.709 . . . . 0.0 114.697 -165.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.49 155.39 26.98 Favored Glycine 0 N--CA 1.489 2.205 2 O-C-N 114.454 -5.154 . . . . 0.0 109.749 -12.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.59 52.19 2.4 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.944 1.354 . . . . 0.0 112.08 -165.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HD3' ' H ' ' A' ' 16' ' ' GLY 0.348 0.0 OUTLIER 177.71 -64.9 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 116.417 -1.754 . . . . 0.0 108.447 -146.079 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.413 ' H ' ' HD3' ' A' ' 15' ' ' ARG . . . 86.82 96.82 0.84 Allowed Glycine 0 CA--C 1.556 2.619 1 CA-C-O 111.936 -4.813 . . . . 0.0 113.22 171.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.39 150.59 37.51 Favored 'Cis proline' 0 CA--C 1.58 2.822 1 CA-C-N 127.656 5.728 . . . . 0.0 113.783 -7.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.61 -153.16 24.55 Favored Glycine 1 CA--C 1.579 4.079 2 CA-C-N 129.728 5.695 . . . . 0.0 112.559 1.227 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.48 135.49 15.85 Favored 'Cis proline' 0 C--N 1.392 2.83 1 CA-C-N 125.028 4.414 . . . . 0.0 114.307 -1.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.437 HE22 ' H ' ' A' ' 2' ' ' SER 0.265 1.1 pp0? -160.55 -15.86 0.05 Allowed 'General case' 0 N--CA 1.524 3.26 1 CA-C-N 126.632 4.287 . . . . 0.0 115.814 2.706 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 122.976 1.37 . . . . 0.0 113.701 -176.817 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 51.99 114.41 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.04 2.136 . . . . 0.0 114.846 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.2 mmm -124.48 134.27 53.09 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.34 -174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.78 57.67 0.91 Allowed 'General case' 0 CA--C 1.592 2.585 2 O-C-N 114.245 -5.285 . . . . 0.0 110.225 16.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 mt -72.59 -34.97 67.78 Favored 'General case' 0 N--CA 1.506 2.374 2 O-C-N 111.012 -7.305 . . . . 0.0 113.759 -11.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -74.76 115.12 13.98 Favored 'General case' 0 CA--C 1.578 2.02 0 CA-C-O 116.803 -1.57 . . . . 0.0 109.859 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.38 -68.99 0.46 Allowed 'General case' 0 N--CA 1.493 1.721 2 CA-C-N 128.56 5.164 . . . . 0.0 111.665 7.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -127.26 -145.03 0.31 Allowed 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 -150.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.29 101.05 0.95 Allowed 'General case' 0 CA--C 1.568 1.635 0 O-C-N 116.778 -3.701 . . . . 0.0 106.265 98.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.92 94.9 2.95 Favored 'General case' 0 C--N 1.364 1.214 2 O-C-N 114.639 -5.038 . . . . 0.0 107.549 -8.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.284 . . 63.6 100.29 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.807 2.443 . . . . 0.0 114.76 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -90.94 133.52 35.2 Favored 'General case' 0 N--CA 1.499 1.998 2 O-C-N 115.136 -4.727 . . . . 0.0 106.992 -33.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.83 127.76 8.69 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.643 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -89.37 41.99 1.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 123.437 1.589 . . . . 0.0 110.946 168.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -164.39 -51.98 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 117.325 -1.321 . . . . 0.0 108.91 -125.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.09 -45.93 56.55 Favored Glycine 0 CA--C 1.574 3.771 1 CA-C-O 112.057 -4.746 . . . . 0.0 118.475 -177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -69.24 147.6 83.87 Favored 'Cis proline' 0 C--N 1.393 2.871 1 CA-C-N 128.194 5.997 . . . . 0.0 114.163 8.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.09 -152.45 5.93 Favored Glycine 0 CA--C 1.573 3.695 0 CA-C-O 115.077 -3.068 . . . . 0.0 115.128 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.66 111.4 1.42 Allowed 'Cis proline' 0 C--N 1.393 2.902 1 CA-C-N 124.875 4.338 . . . . 0.0 111.232 6.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -44.9 3.36 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.82 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.492 1.646 0 CA-C-N 120.074 1.306 . . . . 0.0 109.795 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 20' ' ' GLN . 93.5 p -138.31 151.02 47.19 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.178 0.991 . . . . 0.0 112.677 174.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.332 0.0 OUTLIER -126.35 -58.93 1.33 Allowed 'General case' 0 N--CA 1.508 2.437 2 O-C-N 113.644 -5.66 . . . . 0.0 112.796 12.654 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 108.01 20.17 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 104.683 -2.34 . . . . 0.0 104.683 172.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.84 136.93 38.15 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.026 0.53 . . . . 0.0 111.194 -146.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t 62.0 96.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 126.918 2.087 . . . . 0.0 111.013 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.351 86.6 t80 -111.09 -112.07 0.33 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 116.357 -1.783 . . . . 0.0 108.427 -154.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -137.94 -62.17 0.6 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 115.604 -2.141 . . . . 0.0 106.185 -160.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.21 142.81 50.75 Favored 'General case' 0 N--CA 1.489 1.496 2 CA-C-N 129.1 5.409 . . . . 0.0 111.649 0.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.63 -38.51 0.08 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.37 -140.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.72 145.66 51.11 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.457 1.903 . . . . 0.0 107.21 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.4 45.3 p90 61.02 -58.03 0.09 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.33 104.01 1.85 Allowed Glycine 0 C--N 1.353 1.502 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 163.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.15 21.09 0.94 Allowed 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -166.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -146.87 -63.99 0.29 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 116.542 -1.694 . . . . 0.0 109.437 -134.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.03 81.61 0.77 Allowed Glycine 0 CA--C 1.565 3.178 1 CA-C-O 111.989 -4.784 . . . . 0.0 111.248 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -91.78 109.14 0.87 Allowed 'Cis proline' 0 C--N 1.389 2.681 1 CA-C-N 127.479 5.639 . . . . 0.0 113.865 7.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.52 30.61 Favored Glycine 0 CA--C 1.57 3.525 0 CA-C-O 115.211 -2.994 . . . . 0.0 119.086 150.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.93 117.86 5.03 Favored 'Cis proline' 0 CA--C 1.58 2.799 0 CA-C-N 124.175 3.988 . . . . 0.0 112.859 8.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HB3' ' H ' ' A' ' 2' ' ' SER . 5.3 mm-40 -114.81 145.86 41.67 Favored 'General case' 0 N--CA 1.5 2.035 2 CA-C-N 128.613 5.188 . . . . 0.0 109.618 -4.143 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.266 13.7 mt . . . . . 0 N--CA 1.508 2.469 0 C-N-CA 126.648 1.979 . . . . 0.0 113.585 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m 53.35 81.87 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 126.62 1.968 . . . . 0.0 113.989 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.9 tpt -87.86 138.96 31.0 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.459 0.704 . . . . 0.0 110.149 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 101.93 10.23 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 -163.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.4 mt -145.15 -92.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 102.007 -3.331 . . . . 0.0 102.007 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -175.03 115.46 0.16 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 121.152 1.796 . . . . 0.0 107.308 147.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -140.68 -57.85 0.52 Allowed 'General case' 0 N--CA 1.502 2.139 2 O-C-N 114.82 -4.925 . . . . 0.0 109.65 -17.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -7.81 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 121.742 3.979 . . . . 0.0 121.742 98.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.87 -41.77 20.51 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.231 -2.319 . . . . 0.0 117.01 -149.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -148.02 -146.75 0.2 Allowed 'General case' 0 N--CA 1.499 2.005 2 CA-C-N 129.659 5.663 . . . . 0.0 111.784 4.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.28 . . 75.56 -33.06 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -66.37 -42.89 87.33 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 145.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -174.81 42.95 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 122.677 1.154 . . . . 0.0 111.179 154.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -144.21 -8.55 0.69 Allowed 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 113.56 -1.32 . . . . 0.0 114.337 -169.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 -49.37 0.28 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.077 1.351 . . . . 0.0 111.252 -168.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 73.4 1.27 Allowed Glycine 0 CA--C 1.559 2.819 1 CA-C-O 112.322 -4.599 . . . . 0.0 108.944 -174.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.89 153.38 97.43 Favored 'Cis proline' 0 C--N 1.388 2.633 1 CA-C-N 126.667 5.233 . . . . 0.0 114.031 12.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.65 -94.38 0.56 Allowed Glycine 0 CA--C 1.557 2.672 1 CA-C-O 112.892 -4.282 . . . . 0.0 113.76 -165.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.89 139.98 62.53 Favored 'Cis proline' 0 CA--C 1.579 2.749 1 CA-C-N 126.021 4.91 . . . . 0.0 114.179 10.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -113.44 85.74 2.25 Favored 'General case' 0 N--CA 1.503 2.177 2 CA-C-N 128.255 5.025 . . . . 0.0 108.887 0.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.312 14.5 mt . . . . . 0 N--CA 1.501 2.088 0 C-N-CA 126.628 1.971 . . . . 0.0 111.764 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.558 1.259 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.463 ' H ' HD12 ' A' ' 5' ' ' LEU . 39.1 t -135.8 66.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 119.981 1.264 . . . . 0.0 111.621 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.322 13.0 ptm 59.5 139.65 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.378 1.871 . . . . 0.0 114.623 171.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? 51.03 64.96 1.62 Allowed 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 125.979 1.712 . . . . 0.0 114.03 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 2' ' ' SER . 18.4 mt -146.35 -68.55 0.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 117.812 -1.09 . . . . 0.0 108.68 -174.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -108.86 -51.41 2.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.876 1.27 . . . . 0.0 112.749 174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.325 0.1 OUTLIER 65.09 147.44 0.03 OUTLIER 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 125.745 1.618 . . . . 0.0 114.741 166.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -69.93 -51.77 30.05 Favored 'General case' 0 N--CA 1.5 2.027 2 O-C-N 115.727 -4.358 . . . . 0.0 111.461 13.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.63 38.88 1.06 Allowed 'General case' 0 N--CA 1.496 1.847 2 CA-C-N 128.622 5.192 . . . . 0.0 113.942 -19.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.97 162.54 26.55 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 119.662 -1.898 . . . . 0.0 112.638 -114.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.273 . . -177.14 92.37 0.04 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 109.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -146.03 92.28 2.18 Favored 'General case' 0 N--CA 1.498 1.959 2 O-C-N 114.012 -5.43 . . . . 0.0 104.869 -7.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.72 -29.8 0.07 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 122.481 3.752 . . . . 0.0 122.481 -168.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -16.69 5.1 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -145.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -130.61 -47.36 1.06 Allowed 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.97 -144.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.57 89.5 Favored Glycine 0 CA--C 1.571 3.589 1 CA-C-O 111.412 -5.105 . . . . 0.0 118.143 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.14 147.08 82.18 Favored 'Cis proline' 0 C--N 1.391 2.795 1 CA-C-N 128.64 6.22 . . . . 0.0 114.03 16.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' HA2' HE21 ' A' ' 20' ' ' GLN . . . -105.46 -179.29 23.91 Favored Glycine 1 CA--C 1.579 4.061 0 CA-C-O 115.563 -2.799 . . . . 0.0 115.582 172.537 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -77.59 134.06 33.11 Favored 'Cis proline' 0 C--N 1.394 2.956 1 CA-C-N 125.415 4.608 . . . . 0.0 111.703 4.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.473 HE21 ' HA2' ' A' ' 18' ' ' GLY 0.359 0.1 OUTLIER 150.38 -56.22 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 127.006 2.122 . . . . 0.0 107.384 -168.231 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 125.146 2.403 . . . . 0.0 106.04 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -161.38 79.87 0.59 Allowed 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 124.692 1.197 . . . . 0.0 109.135 174.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.25 17.2 ttp 51.31 152.81 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 127.141 2.176 . . . . 0.0 115.314 175.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? 54.67 78.8 0.16 Allowed 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 126.339 1.856 . . . . 0.0 112.679 173.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.38 -107.37 0.1 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -152.78 84.17 1.23 Allowed 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 103.703 -2.703 . . . . 0.0 103.703 148.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.358 53.3 t80 71.66 143.06 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 2 O-C-N 114.231 -5.293 . . . . 0.0 110.916 11.008 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.95 -59.51 0.02 OUTLIER 'General case' 0 CA--C 1.575 1.909 0 CA-C-N 110.792 -2.913 . . . . 0.0 104.844 -142.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.374 . . 55.23 65.76 1.4 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 127.54 2.336 . . . . 0.0 116.269 -172.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.342 0.1 OUTLIER 58.09 -123.4 1.47 Allowed 'General case' 0 N--CA 1.516 2.863 0 O-C-N 118.827 -2.42 . . . . 0.0 111.055 83.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.368 . . 138.55 97.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 106.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -141.73 130.14 22.46 Favored 'General case' 0 N--CA 1.496 1.828 2 O-C-N 114.394 -5.191 . . . . 0.0 109.183 -5.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.78 40.31 0.57 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 118.535 2.174 . . . . 0.0 118.535 172.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.98 -48.03 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 119.005 1.403 . . . . 0.0 111.374 -165.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -116.66 -52.02 2.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.808 -1.568 . . . . 0.0 112.882 -153.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.25 -38.6 41.02 Favored Glycine 1 CA--C 1.579 4.039 1 CA-C-O 111.065 -5.297 . . . . 0.0 118.88 -178.702 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -92.15 152.57 18.86 Favored 'Cis proline' 0 C--N 1.393 2.903 1 CA-C-N 129.971 6.885 . . . . 0.0 114.764 -2.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.78 152.0 7.77 Favored Glycine 0 CA--C 1.568 3.345 0 CA-C-O 114.41 -3.439 . . . . 0.0 116.812 160.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -78.41 92.03 1.16 Allowed 'Trans proline' 0 C--N 1.398 3.159 1 CA-C-N 125.952 4.876 . . . . 0.0 110.891 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.357 3.5 pp0? 156.46 -53.08 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 126.658 1.983 . . . . 0.0 107.375 -152.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.367 1.356 0 CA-C-O 124.167 1.937 . . . . 0.0 106.098 169.673 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -156.83 81.72 0.94 Allowed 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.62 1.168 . . . . 0.0 108.395 170.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.291 11.6 ttt 52.04 141.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 127.03 2.132 . . . . 0.0 115.621 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.267 65.5 mmtt 47.98 66.68 0.98 Allowed 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 126.721 2.008 . . . . 0.0 115.082 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.6 -65.34 0.29 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.618 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -105.47 -52.85 2.75 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 116.423 -1.751 . . . . 0.0 113.271 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.25 0.5 OUTLIER 62.94 158.12 0.07 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 121.979 2.172 . . . . 0.0 113.808 167.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -96.45 111.17 23.37 Favored 'General case' 0 N--CA 1.478 0.945 2 O-C-N 114.039 -5.413 . . . . 0.0 109.464 11.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.82 120.71 12.76 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.088 137.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -90.09 -16.06 30.42 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 111.796 -2.456 . . . . 0.0 113.401 169.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.02 -42.37 2.94 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 114.332 -2.747 . . . . 0.0 115.82 -124.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.39 140.07 37.32 Favored 'General case' 0 N--CA 1.494 1.749 2 CA-C-N 131.951 6.705 . . . . 0.0 110.822 11.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.89 56.08 0.76 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 117.417 1.727 . . . . 0.0 117.417 168.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -152.16 -19.41 0.18 Allowed 'General case' 0 N--CA 1.511 2.597 0 C-N-CA 124.707 1.203 . . . . 0.0 114.067 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -149.28 -46.03 0.14 Allowed 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 125.354 1.462 . . . . 0.0 112.879 -140.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.27 -56.23 26.37 Favored Glycine 0 CA--C 1.571 3.567 1 CA-C-O 112.34 -4.589 . . . . 0.0 115.583 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.3 146.17 76.6 Favored 'Cis proline' 0 C--N 1.387 2.573 1 CA-C-N 127.075 5.437 . . . . 0.0 112.772 -0.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.26 126.05 0.83 Allowed Glycine 0 CA--C 1.554 2.495 1 CA-C-O 113.006 -4.219 . . . . 0.0 114.436 172.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.76 76.84 3.18 Favored 'Trans proline' 0 C--N 1.391 2.795 1 CA-C-N 126.15 4.975 . . . . 0.0 113.323 168.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.339 3.0 pm0 163.19 -49.28 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 127.949 2.499 . . . . 0.0 107.769 -167.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 124.601 2.143 . . . . 0.0 110.962 -178.344 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.556 1.201 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.413 ' H ' HD12 ' A' ' 5' ' ' LEU . 65.4 m -139.83 80.9 1.79 Allowed 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 120.285 1.402 . . . . 0.0 109.749 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.318 0.2 OUTLIER 52.56 121.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 127.594 2.358 . . . . 0.0 115.201 172.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.268 47.8 mmtt 41.1 68.49 0.43 Allowed 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 126.933 2.093 . . . . 0.0 115.842 -173.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 2' ' ' SER . 12.0 mt -144.78 -74.79 0.24 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -149.17 113.39 5.21 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 163.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.27 6.9 t80 67.48 100.36 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 2 O-C-N 114.038 -5.414 . . . . 0.0 109.696 6.008 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.25 85.27 7.24 Favored 'General case' 0 N--CA 1.487 1.408 2 O-C-N 114.611 -5.056 . . . . 0.0 113.235 10.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.29 131.54 50.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.062 107.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.425 HH21 HH22 ' A' ' 15' ' ' ARG . 0.0 OUTLIER -155.4 -16.66 0.11 Allowed 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 125.746 1.618 . . . . 0.0 114.955 -177.524 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' H ' HH12 ' A' ' 15' ' ' ARG . . . -95.93 118.97 33.59 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 154.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -87.53 115.18 24.78 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.775 -146.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.45 58.8 0.89 Allowed Glycine 0 N--CA 1.488 2.149 0 N-CA-C 117.091 1.597 . . . . 0.0 117.091 155.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.6 -67.29 0.12 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -176.067 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.453 HH12 ' H ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -97.33 145.58 25.98 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.142 1.377 . . . . 0.0 109.383 162.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.41 -74.92 0.2 Allowed Glycine 0 CA--C 1.553 2.419 1 CA-C-O 113.026 -4.208 . . . . 0.0 108.361 175.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -72.63 146.36 86.39 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 126.136 4.968 . . . . 0.0 113.287 0.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.21 -149.86 5.1 Favored Glycine 0 CA--C 1.571 3.55 0 CA-C-O 114.533 -3.371 . . . . 0.0 115.329 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -78.4 134.45 33.5 Favored 'Cis proline' 0 C--N 1.39 2.739 1 CA-C-N 125.581 4.691 . . . . 0.0 112.595 5.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -164.26 -37.95 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.958 1.703 . . . . 0.0 111.863 166.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 122.881 1.324 . . . . 0.0 109.21 -165.452 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.544 0.734 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -152.22 144.47 23.95 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.898 1.279 . . . . 0.0 109.796 -176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -77.24 148.5 35.76 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.349 1.06 . . . . 0.0 113.258 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.36 64.3 mmtt 52.59 77.19 0.16 Allowed 'General case' 0 CA--C 1.581 2.173 0 C-N-CA 127.49 2.316 . . . . 0.0 114.767 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.15 138.77 42.25 Favored 'General case' 0 N--CA 1.494 1.746 1 O-C-N 115.218 -4.676 . . . . 0.0 110.625 -9.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -133.12 134.82 44.72 Favored 'General case' 0 N--CA 1.494 1.767 2 CA-C-N 129.176 5.444 . . . . 0.0 107.765 -8.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.8 -55.13 0.78 Allowed 'General case' 0 N--CA 1.504 2.228 1 O-C-N 114.961 -4.837 . . . . 0.0 114.403 55.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.342 0.0 OUTLIER 151.72 -50.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 127.864 2.466 . . . . 0.0 105.763 -137.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.69 113.02 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 C-N-CA 128.688 2.795 . . . . 0.0 113.437 -160.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.55 -33.96 0.42 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.477 -2.147 . . . . 0.0 113.514 -160.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.263 . . -118.58 -78.15 0.58 Allowed 'General case' 0 CA--C 1.561 1.382 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 164.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 157.19 29.71 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 149.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.73 52.35 0.64 Allowed Glycine 0 N--CA 1.497 2.745 2 O-C-N 114.328 -5.233 . . . . 0.0 115.099 -5.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.381 13.2 m-85 55.1 42.19 31.01 Favored 'General case' 0 CA--C 1.59 2.513 0 C-N-CA 126.884 2.073 . . . . 0.0 114.879 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -152.19 115.8 4.81 Favored 'General case' 0 N--CA 1.497 1.875 2 O-C-N 112.223 -6.548 . . . . 0.0 106.879 -8.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.24 80.46 0.88 Allowed Glycine 0 CA--C 1.559 2.842 1 CA-C-O 112.61 -4.439 . . . . 0.0 113.454 147.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -60.57 147.99 46.21 Favored 'Cis proline' 0 C--N 1.392 2.865 1 CA-C-N 126.459 5.129 . . . . 0.0 114.864 4.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.83 -138.89 0.17 Allowed Glycine 0 CA--C 1.568 3.405 1 CA-C-O 112.894 -4.281 . . . . 0.0 115.982 -162.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.419 1.3 Cg_exo 11.51 -97.76 0.0 OUTLIER 'Cis proline' 0 C--N 1.389 2.661 2 CA-C-N 128.225 6.013 . . . . 0.0 123.085 27.131 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.259 1.8 pm0 -133.84 -47.7 0.8 Allowed 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 122.106 2.23 . . . . 0.0 115.04 -165.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.579 1.657 . . . . 0.0 107.717 -178.834 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -167.51 130.86 1.72 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.6 ptm -31.06 145.58 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.225 0 N-CA-C 119.976 3.324 . . . . 0.0 119.976 -172.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.274 10.6 mmpt? 66.08 81.6 0.2 Allowed 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 127.019 2.128 . . . . 0.0 111.198 -178.064 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.7 mt -146.85 -73.98 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 -178.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -138.5 -54.31 0.62 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.427 1.491 . . . . 0.0 112.032 167.173 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.383 0.0 OUTLIER 66.69 159.45 0.14 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 123.4 1.571 . . . . 0.0 114.333 144.5 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -48.59 0.7 Allowed 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.5 173.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.5 144.17 0.56 Allowed 'General case' 0 C--N 1.367 1.356 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -151.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.96 -59.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -111.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.99 112.32 11.74 Favored 'General case' 0 C--N 1.364 1.205 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 163.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.7 123.24 36.89 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.298 -159.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.95 -19.49 0.86 Allowed Glycine 0 CA--C 1.551 2.334 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 170.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 -2.36 1.21 Allowed 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 -149.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtt-85 -128.77 -53.02 1.24 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.962 -1.495 . . . . 0.0 112.813 -148.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.36 -45.51 90.34 Favored Glycine 0 CA--C 1.574 3.77 1 CA-C-O 111.563 -5.02 . . . . 0.0 117.06 -175.083 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.01 149.92 94.92 Favored 'Cis proline' 0 C--N 1.391 2.815 1 CA-C-N 128.815 6.307 . . . . 0.0 113.301 4.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.0 -151.23 5.45 Favored Glycine 0 CA--C 1.567 3.324 0 CA-C-O 114.575 -3.347 . . . . 0.0 116.71 -175.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -82.81 139.57 38.51 Favored 'Cis proline' 0 C--N 1.389 2.682 1 CA-C-N 125.049 4.424 . . . . 0.0 112.769 10.195 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.486 HE21 ' HG ' ' A' ' 21' ' ' LEU 0.279 3.6 pm0 -167.21 -41.06 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.367 -1.778 . . . . 0.0 112.52 170.231 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' HE21 ' A' ' 20' ' ' GLN . 16.3 mt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 125.311 2.481 . . . . 0.0 113.029 -153.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t 66.68 90.16 0.1 Allowed 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 126.585 1.954 . . . . 0.0 112.013 179.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.294 0.3 OUTLIER 55.0 94.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.664 2.386 . . . . 0.0 114.512 173.277 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.389 9.3 mmmm 70.85 107.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 126.658 1.983 . . . . 0.0 114.416 154.362 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.3 mt 65.49 168.74 0.2 Allowed 'General case' 0 N--CA 1.521 3.101 1 CA-C-N 126.435 4.198 . . . . 0.0 110.756 -3.006 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -128.9 111.52 13.14 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -143.48 140.07 30.16 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -174.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -25.55 -10.95 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.106 1 N-CA-C 124.453 4.983 . . . . 0.0 124.453 134.258 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.2 138.96 6.53 Favored 'General case' 0 CA--C 1.564 1.516 1 N-CA-C 121.959 4.059 . . . . 0.0 121.959 -120.162 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.45 -68.23 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.227 1 CA-C-N 126.078 4.035 . . . . 0.0 110.659 -22.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 155.64 -29.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 124.88 1.272 . . . . 0.0 111.058 -120.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.2 -61.54 1.58 Allowed 'General case' 0 CA--C 1.572 1.803 0 C-N-CA 126.263 1.825 . . . . 0.0 109.564 -171.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.39 116.31 2.01 Favored Glycine 0 C--N 1.366 2.212 0 N-CA-C 105.975 -2.85 . . . . 0.0 105.975 174.162 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -88.66 66.44 8.11 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.667 1.223 . . . . 0.0 111.84 -145.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -143.03 -77.57 0.24 Allowed 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 116.739 -1.6 . . . . 0.0 108.548 -141.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.8 96.42 0.01 OUTLIER Glycine 0 CA--C 1.57 3.48 1 CA-C-O 112.241 -4.644 . . . . 0.0 113.775 -170.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.37 82.25 0.05 OUTLIER 'Cis proline' 0 C--N 1.386 2.51 1 CA-C-N 126.865 5.332 . . . . 0.0 113.931 14.006 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.02 -156.44 0.66 Allowed Glycine 1 CA--C 1.58 4.113 0 CA-C-O 114.575 -3.347 . . . . 0.0 118.662 166.028 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.77 169.74 31.43 Favored 'Cis proline' 0 C--N 1.389 2.684 1 CA-C-N 125.094 4.447 . . . . 0.0 114.376 -8.835 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.85 -1.02 50.34 Favored 'General case' 0 N--CA 1.512 2.656 2 O-C-N 113.878 -5.514 . . . . 0.0 116.083 -2.621 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 125.15 2.405 . . . . 0.0 110.144 167.782 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -149.73 144.28 25.97 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.979 1.312 . . . . 0.0 109.781 -177.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.1 ttp -46.71 143.73 2.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.309 19.4 mmtp 54.35 72.16 0.47 Allowed 'General case' 0 CA--C 1.581 2.172 0 C-N-CA 126.98 2.112 . . . . 0.0 111.638 -176.289 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -46.88 142.31 3.5 Favored 'General case' 0 N--CA 1.5 2.025 2 O-C-N 113.655 -5.653 . . . . 0.0 119.12 14.552 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.484 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 78.3 p -143.22 -49.16 0.32 Allowed 'General case' 0 N--CA 1.495 1.775 2 CA-C-N 127.206 4.548 . . . . 0.0 113.269 -17.559 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' ' H ' ' A' ' 6' ' ' SER . 1.4 p90 -153.04 138.33 17.5 Favored 'General case' 0 N--CA 1.493 1.677 2 CA-C-N 131.138 6.335 . . . . 0.0 107.812 5.725 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.54 -14.09 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.994 1 N-CA-C 124.071 4.841 . . . . 0.0 124.071 146.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.31 146.38 34.56 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 121.231 3.789 . . . . 0.0 121.231 -119.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER -159.9 -88.86 0.03 OUTLIER 'General case' 0 C--N 1.372 1.585 0 CA-C-N 125.984 3.993 . . . . 0.0 108.553 -23.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.42 -30.74 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 125.847 1.659 . . . . 0.0 114.215 -150.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -86.86 -58.8 2.46 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 116.64 -1.648 . . . . 0.0 110.887 -159.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.68 50.31 0.07 OUTLIER Glycine 0 N--CA 1.494 2.511 0 N-CA-C 117.635 1.814 . . . . 0.0 117.635 165.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.479 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -156.38 -22.63 0.1 Allowed 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.928 1.291 . . . . 0.0 112.223 -166.14 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HG3' ' H ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -144.78 159.95 42.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 119.281 -2.137 . . . . 0.0 111.642 -93.47 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.23 65.79 1.26 Allowed Glycine 0 CA--C 1.562 3.011 1 CA-C-O 112.341 -4.588 . . . . 0.0 110.222 -167.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -75.88 136.26 43.89 Favored 'Cis proline' 0 C--N 1.392 2.849 1 CA-C-N 127.229 5.514 . . . . 0.0 113.358 6.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.3 -132.4 0.15 Allowed Glycine 0 CA--C 1.574 3.747 0 CA-C-O 113.71 -3.828 . . . . 0.0 114.387 -176.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.63 129.89 16.44 Favored 'Cis proline' 0 C--N 1.388 2.657 1 CA-C-N 125.828 4.814 . . . . 0.0 112.61 3.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -112.69 126.05 54.97 Favored 'General case' 0 N--CA 1.498 1.941 2 CA-C-N 127.595 4.725 . . . . 0.0 108.3 17.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.289 4.4 mp . . . . . 0 N--CA 1.5 2.043 0 C-N-CA 126.625 1.97 . . . . 0.0 111.861 -179.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.556 1.183 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 54.62 80.84 0.11 Allowed 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 126.911 2.084 . . . . 0.0 113.42 -179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -100.79 118.21 36.43 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.56 -9.56 9.19 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 176.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.85 -48.57 75.27 Favored 'General case' 0 N--CA 1.506 2.329 0 C-N-CA 124.411 1.084 . . . . 0.0 112.678 156.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -76.08 156.99 33.39 Favored 'General case' 0 CA--C 1.58 2.126 0 O-C-N 124.499 1.125 . . . . 0.0 113.94 154.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -84.64 146.28 27.56 Favored 'General case' 0 N--CA 1.494 1.764 2 O-C-N 115.051 -4.78 . . . . 0.0 112.844 -10.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 98.54 11.55 Favored 'General case' 0 N--CA 1.486 1.364 2 O-C-N 115.609 -4.432 . . . . 0.0 109.743 2.772 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.26 96.44 2.99 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.128 -2.306 . . . . 0.0 105.97 121.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -74.46 -76.62 0.13 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.199 -1.819 . . . . 0.0 107.894 -167.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 31.94 60.27 0.33 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 118.599 2.815 . . . . 0.0 118.599 155.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.416 0.3 OUTLIER 105.88 70.72 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 128.071 2.548 . . . . 0.0 105.44 -140.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.3 -111.38 2.7 Favored Glycine 0 C--N 1.362 1.98 2 O-C-N 112.824 -6.173 . . . . 0.0 106.51 -5.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -141.24 46.21 1.73 Allowed 'General case' 0 N--CA 1.513 2.687 0 CA-C-N 119.293 1.547 . . . . 0.0 112.111 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.264 0.0 OUTLIER -153.39 -64.22 0.15 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.608 -163.533 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.44 70.08 1.34 Allowed Glycine 0 CA--C 1.558 2.773 1 CA-C-O 112.289 -4.617 . . . . 0.0 111.028 -176.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.42 146.63 69.14 Favored 'Cis proline' 0 C--N 1.388 2.632 1 CA-C-N 127.057 5.428 . . . . 0.0 114.231 -1.187 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.07 -150.96 12.19 Favored Glycine 0 CA--C 1.578 3.979 2 CA-C-N 128.611 5.187 . . . . 0.0 113.1 9.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -88.4 129.6 9.49 Favored 'Cis proline' 0 CA--C 1.581 2.829 1 CA-C-N 126.374 5.087 . . . . 0.0 113.135 -6.185 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -132.38 100.92 5.15 Favored 'General case' 0 N--CA 1.493 1.681 2 CA-C-N 128.817 5.281 . . . . 0.0 106.105 -0.222 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.333 8.4 mt . . . . . 0 N--CA 1.495 1.791 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.049 -171.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m 52.06 117.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 127.025 2.13 . . . . 0.0 115.266 -179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 tpt -124.86 154.49 40.96 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.225 1.012 . . . . 0.0 109.737 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.05 116.38 27.79 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 116.883 -1.532 . . . . 0.0 108.884 -140.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.01 151.46 51.73 Favored 'General case' 0 N--CA 1.5 2.054 2 CA-C-N 128.138 4.972 . . . . 0.0 108.2 -10.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.282 45.7 t 85.19 98.68 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 127.098 2.159 . . . . 0.0 105.887 -162.023 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . 0.283 20.5 m-85 60.72 150.25 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.074 2 O-C-N 115.279 -4.638 . . . . 0.0 113.981 14.215 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.03 95.88 Favored 'General case' 0 CA--C 1.575 1.933 1 O-C-N 115.726 -4.359 . . . . 0.0 114.422 3.612 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.87 15.08 14.33 Favored 'General case' 0 N--CA 1.498 1.975 2 CA-C-N 128.464 5.12 . . . . 0.0 117.249 -10.148 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.33 172.05 13.48 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 119.686 -1.884 . . . . 0.0 111.534 -107.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.82 102.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 110.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -107.21 143.57 35.23 Favored 'General case' 0 N--CA 1.495 1.819 2 O-C-N 114.743 -4.973 . . . . 0.0 108.896 -43.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.52 -81.88 0.31 Allowed Glycine 0 N--CA 1.491 2.301 0 CA-C-O 121.231 0.351 . . . . 0.0 113.489 159.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -25.47 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 166.512 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -103.32 -39.9 6.62 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 116.184 -1.865 . . . . 0.0 115.508 -165.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -64.13 2.95 Favored Glycine 0 CA--C 1.565 3.191 1 CA-C-O 112.969 -4.24 . . . . 0.0 115.106 -163.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -69.41 143.7 73.93 Favored 'Cis proline' 0 C--N 1.389 2.672 1 CA-C-N 126.324 5.062 . . . . 0.0 113.9 8.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.37 -169.73 16.56 Favored Glycine 0 CA--C 1.575 3.783 0 CA-C-O 115.687 -2.729 . . . . 0.0 116.435 -177.137 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.72 112.52 2.63 Favored 'Cis proline' 0 C--N 1.391 2.767 1 CA-C-N 124.525 4.162 . . . . 0.0 111.028 0.419 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.73 -29.28 0.17 Allowed 'General case' 0 N--CA 1.502 2.166 0 CA-C-O 115.654 -2.117 . . . . 0.0 115.125 177.242 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 11.3 mt . . . . . 0 N--CA 1.502 2.133 0 CA-C-N 122.273 2.306 . . . . 0.0 106.526 -162.016 . . . . . . . . 1 1 . 1 stop_ save_