data_1vda_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 1vda _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.678 0.275 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.62 -38.2 75.64 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.531 2.154 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -30.23 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.67 -25.91 68.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -53.37 47.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.935 0.397 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -64.6 -48.99 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.526 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.645 0.259 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.41 -39.0 70.18 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.248 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.78 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -89.73 -32.97 16.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -71.9 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.13 5.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.992 0.425 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -57.91 -24.24 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.323 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.615 0.245 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -26.45 55.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.397 2.064 . . . . 0.0 111.88 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.5 76.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.1 -25.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -60.21 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.987 0.422 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.22 -29.96 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.77 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -50.29 4.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.195 -179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.626 0.251 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.33 -35.04 75.53 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.77 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -71.14 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -43.87 92.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -58.92 -33.44 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.031 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -59.0 -40.64 85.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.707 0.289 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.27 -29.05 45.34 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.33 -51.68 49.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -65.5 -29.97 70.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.38 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.11 -24.51 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.89 -55.41 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -38.75 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.706 0.289 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.76 -36.47 82.34 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.401 2.067 . . . . 0.0 112.31 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.01 67.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -87.2 -44.45 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -41.4 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -56.64 -30.53 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.37 90.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -59.52 -30.33 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.858 -179.738 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.672 0.272 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.45 -24.95 75.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.474 2.116 . . . . 0.0 111.822 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.41 89.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.061 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -64.04 -47.6 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -37.93 89.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.64 85.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -63.79 -49.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.67 0.272 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -39.75 74.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.626 2.217 . . . . 0.0 112.478 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.92 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.234 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -69.94 -48.91 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.17 89.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -34.0 75.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.692 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -24.21 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -71.9 -62.53 1.39 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.091 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.695 0.283 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.36 -40.21 25.89 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.508 2.139 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.55 -29.06 49.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -70.31 -43.95 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.85 83.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.41 -31.05 65.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.998 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.08 -55.52 12.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -63.22 -45.55 91.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.723 0.297 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.27 -35.31 52.14 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.495 2.13 . . . . 0.0 112.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.96 -29.52 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -80.05 -45.28 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.2 87.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -23.52 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -53.91 32.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.0 ptp85 -65.05 -39.04 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.9 -29.31 42.99 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.496 2.131 . . . . 0.0 111.992 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.48 -53.53 9.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.76 -35.26 75.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.37 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -83.57 -23.85 31.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.018 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.46 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -144.84 -46.8 0.24 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.849 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.706 0.288 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.45 -36.03 94.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.553 2.168 . . . . 0.0 112.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.44 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.27 -27.7 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.91 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -67.89 -43.3 79.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -49.04 74.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.15 -17.55 53.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.498 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.079 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.628 0.251 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.57 -46.14 35.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.545 2.163 . . . . 0.0 112.254 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.99 -30.85 62.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -75.71 -44.36 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.4 -44.3 92.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.0 -51.82 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.55 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -41.6 89.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.195 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.652 0.263 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.66 -28.0 35.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.411 2.074 . . . . 0.0 112.085 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.08 -37.63 66.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.71 -51.56 40.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -53.25 -25.0 12.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.6 -51.59 66.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.781 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -84.36 -30.8 25.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.06 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.733 0.301 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.14 -38.81 71.62 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.699 2.266 . . . . 0.0 112.181 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.52 68.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -85.01 -17.93 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -41.91 76.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.06 0.457 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -57.56 -36.21 71.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -56.76 6.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -62.13 -18.53 61.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.368 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.396 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -157.78 148.17 15.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.62 -38.2 75.64 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.531 2.154 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -30.23 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.67 -25.91 68.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -53.37 47.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.935 0.397 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -64.6 -48.99 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -15.24 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.526 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.18 -22.27 16.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -163.18 35.25 0.09 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -106.41 74.07 1.0 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.789 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -129.12 52.65 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.83 21.82 1.54 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.056 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -130.12 115.51 17.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.56 98.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -177.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -108.02 151.75 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.87 76.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -106.41 150.55 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 125.58 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.828 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -114.31 145.34 33.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.41 -39.0 70.18 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.248 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.78 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -89.73 -32.97 16.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -71.9 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.13 5.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.992 0.425 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -57.91 -24.24 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -18.47 30.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.323 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.02 22.85 5.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.35 34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.406 0.622 . . . . 0.0 110.739 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 ttt -111.73 -29.14 7.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.961 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -55.12 96.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 47.86 95.98 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.626 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -90.92 155.89 18.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.57 141.39 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.01 -176.17 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.56 125.78 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 154.28 17.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.35 31.32 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.4 -179.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 p -137.19 154.97 76.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.793 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -26.45 55.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.397 2.064 . . . . 0.0 111.88 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.5 76.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.1 -25.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -60.21 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.987 0.422 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.22 -29.96 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.77 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -50.29 4.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.53 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.195 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.93 31.25 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.12 38.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.317 0.579 . . . . 0.0 110.783 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.35 152.99 3.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.08 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.33 43.48 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.796 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.67 -46.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.53 99.24 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.62 81.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.8 63.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -125.89 76.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -88.17 122.36 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 60.46 94.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.16 164.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.818 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.1 t -146.61 144.18 20.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.33 -35.04 75.53 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.77 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -71.14 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -43.87 92.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -58.92 -33.44 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.031 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -59.0 -40.64 85.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.54 -18.71 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 25.98 5.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.12 35.36 0.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.329 0.585 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 ttt -138.24 30.27 2.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m 57.94 56.46 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.1 19.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.977 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.3 t80 50.99 79.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.18 156.5 28.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.46 147.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt 60.07 55.29 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.59 153.74 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -133.6 81.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.85 146.93 47.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.059 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.868 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.864 0.364 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 p -77.33 163.41 64.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.27 -29.05 45.34 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.33 -51.68 49.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -65.5 -29.97 70.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.38 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.11 -24.51 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.89 -55.41 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -38.75 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.98 -23.51 32.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 23.4 7.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -179.48 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.382 0.61 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 mmt -85.27 115.25 22.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.83 45.77 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.93 -46.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.67 -179.7 3.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.71 76.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.91 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -137.64 92.1 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -60.26 171.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -107.47 156.5 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.17 -46.03 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.91 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -109.34 146.48 34.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.76 -36.47 82.34 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.401 2.067 . . . . 0.0 112.31 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.01 67.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -87.2 -44.45 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -41.4 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -56.64 -30.53 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.37 90.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -59.52 -30.33 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.1 -9.83 43.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.858 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 tp -89.94 18.17 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.631 0.253 . . . . 0.0 111.331 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.74 35.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.4 0.619 . . . . 0.0 110.734 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 tpp -144.5 -49.09 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.719 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.33 -163.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.58 -5.61 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.893 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.92 93.42 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.912 0.387 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.34 93.89 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.38 87.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.67 88.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.06 120.68 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 60.77 176.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.47 -174.63 3.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.913 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p -102.41 154.8 37.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.45 -24.95 75.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.474 2.116 . . . . 0.0 111.822 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.41 89.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.061 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -64.04 -47.6 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -37.93 89.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.64 85.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -63.79 -49.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -24.18 45.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 28.34 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 36.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.379 0.609 . . . . 0.0 110.897 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.0 ttm -172.63 37.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -158.61 46.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.4 -42.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.239 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.17 163.71 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.24 149.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.89 158.97 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? 60.29 -177.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.51 171.91 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 61.75 114.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.0 34.26 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.2 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.847 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -161.49 150.52 13.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -39.75 74.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.626 2.217 . . . . 0.0 112.478 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.92 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.234 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -69.94 -48.91 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.17 89.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -34.0 75.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.692 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -24.21 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -71.9 -62.53 1.39 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -22.84 62.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.091 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -55.37 8.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -178.54 36.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.271 0.558 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.7 tpt -140.68 50.23 1.67 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -129.01 125.75 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.0 21.93 1.67 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.995 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -127.78 75.81 1.63 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.75 168.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.15 102.83 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt 59.74 92.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.64 140.57 58.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.54 122.14 24.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.86 -176.34 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.912 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.859 0.361 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -139.42 145.05 42.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.36 -40.21 25.89 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.508 2.139 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.55 -29.06 49.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -70.31 -43.95 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.85 83.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.41 -31.05 65.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.998 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.08 -55.52 12.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -63.22 -45.55 91.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -30.93 65.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.7 24.75 7.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -177.31 36.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.472 0.653 . . . . 0.0 110.96 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 ptp -64.12 116.74 6.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -125.75 91.59 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.15 22.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.004 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.31 79.13 9.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.7 153.81 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.33 102.5 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -90.94 97.74 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -96.29 114.06 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -102.94 38.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 86.17 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.855 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 t -157.19 148.7 17.0 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.27 -35.31 52.14 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.495 2.13 . . . . 0.0 112.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.96 -29.52 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -80.05 -45.28 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.2 87.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -23.52 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -53.91 32.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.0 ptp85 -65.05 -39.04 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mt -62.85 -24.79 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 tp -110.96 32.72 5.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -168.91 35.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.416 0.626 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 tpt -126.3 28.65 5.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.3 43.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.08 -23.19 5.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 76.3 t80 61.57 57.04 2.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 110.798 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.48 -175.69 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.87 137.85 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.56 149.98 49.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -118.68 165.03 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.11 149.46 21.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.943 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.885 0.374 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 p -124.18 163.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.9 -29.31 42.99 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.496 2.131 . . . . 0.0 111.992 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.48 -53.53 9.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.76 -35.26 75.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.37 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -83.57 -23.85 31.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.018 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.46 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -144.84 -46.8 0.24 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp 56.91 38.02 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.849 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.53 42.88 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.31 37.47 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.252 0.548 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 tpt 45.19 49.92 9.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.394 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.8 m -131.37 47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.46 -73.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.98 173.23 9.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.17 174.81 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.43 -171.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.79 70.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.34 129.02 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -80.87 152.68 28.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 94.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t -82.18 146.82 55.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.768 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.45 -36.03 94.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.553 2.168 . . . . 0.0 112.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.44 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.27 -27.7 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.91 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -67.89 -43.3 79.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -49.04 74.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.15 -17.55 53.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.498 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -87.62 20.92 2.73 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt 65.07 38.54 6.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.915 0.388 . . . . 0.0 110.732 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 55.27 35.95 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -23.01 64.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 t -70.4 65.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.36 -41.14 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -172.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.24 -175.49 5.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.78 165.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -159.57 77.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -115.89 82.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -104.87 -60.65 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 129.94 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.939 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -131.76 145.87 59.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.57 -46.14 35.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.545 2.163 . . . . 0.0 112.254 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.99 -30.85 62.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -75.71 -44.36 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.4 -44.3 92.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.0 -51.82 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.55 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -41.6 89.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp -97.17 23.76 7.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.92 -50.76 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -178.05 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.36 0.6 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.46 -167.78 1.92 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t 64.98 47.84 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.04 -45.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.23 72.67 1.26 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.778 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.41 96.94 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.93 80.99 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.4 93.69 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.33 47.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.41 83.44 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.55 30.96 20.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.906 0.384 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p -123.09 163.37 34.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.66 -28.0 35.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.411 2.074 . . . . 0.0 112.085 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.08 -37.63 66.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.71 -51.56 40.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -53.25 -25.0 12.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.6 -51.59 66.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.781 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -84.36 -30.8 25.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.21 -25.38 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 24.95 6.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -178.29 37.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.365 0.603 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.28 138.77 38.77 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m 59.29 45.69 13.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.01 -74.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.47 82.11 1.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.805 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.91 135.55 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.26 158.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -136.49 76.56 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.48 47.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -125.26 -66.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.99 -42.28 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.78 150.07 58.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.14 -38.81 71.62 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.699 2.266 . . . . 0.0 112.181 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.52 68.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -85.01 -17.93 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -41.91 76.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.06 0.457 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -57.56 -36.21 71.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -56.76 6.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -62.13 -18.53 61.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.368 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 11' ' ' LEU . 8.3 tp -59.37 -10.62 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.396 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.9 tp 84.91 42.85 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.109 0.481 . . . . 0.0 110.363 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? 58.8 35.82 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.764 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 mtt -92.28 50.58 1.65 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -113.43 47.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.36 -43.47 1.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.94 134.17 43.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.62 170.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.71 153.97 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.81 117.39 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -111.28 47.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 67.48 -69.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.74 164.24 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.869 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.678 0.275 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.62 -38.2 75.64 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.531 2.154 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -30.23 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.67 -25.91 68.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -53.37 47.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.935 0.397 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -64.6 -48.99 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.526 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 12.1 t . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.645 0.259 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.41 -39.0 70.18 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.248 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.78 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 2' ' ' THR . 26.3 mm-40 -89.73 -32.97 16.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -71.9 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.13 5.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.992 0.425 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 3.7 ptm85 -57.91 -24.24 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.323 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 7.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.615 0.245 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 12.1 Cg_endo -55.59 -26.45 55.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.397 2.064 . . . . 0.0 111.88 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.5 76.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.1 -25.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.44 ' HG3' HD12 ' A' ' 10' ' ' LEU . 6.8 tpt180 -60.21 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.987 0.422 . . . . 0.0 110.618 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.22 -29.96 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.77 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -50.29 4.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 6' ' ' ARG . 12.0 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.195 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.516 HG22 ' HG3' ' A' ' 5' ' ' GLN . 15.1 t . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.626 0.251 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.33 -35.04 75.53 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.77 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 2' ' ' THR . 1.5 mm-40 -71.14 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -43.87 92.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.4 mm100 -58.92 -33.44 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.031 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -59.0 -40.64 85.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 7' ' ' GLN . 3.6 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.707 0.289 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.27 -29.05 45.34 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.33 -51.68 49.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -65.5 -29.97 70.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.38 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.11 -24.51 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.89 -55.41 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -38.75 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 10' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.5 t . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.706 0.289 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.76 -36.47 82.34 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.401 2.067 . . . . 0.0 112.31 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.01 67.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 2' ' ' THR . 96.1 mm-40 -87.2 -44.45 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -41.4 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 10' ' ' LEU . 1.6 tp-100 -56.64 -30.53 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.37 90.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -59.52 -30.33 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.858 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 3.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.672 0.272 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 28.0 Cg_endo -62.45 -24.95 75.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.474 2.116 . . . . 0.0 111.822 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.41 89.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.061 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -64.04 -47.6 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -37.93 89.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.64 85.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -63.79 -49.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.67 0.272 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -39.75 74.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.626 2.217 . . . . 0.0 112.478 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.92 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.234 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -69.94 -48.91 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.17 89.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -34.0 75.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.692 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -24.21 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -71.9 -62.53 1.39 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.091 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.409 HG22 ' HG3' ' A' ' 5' ' ' GLN . 9.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.695 0.283 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.36 -40.21 25.89 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.508 2.139 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.55 -29.06 49.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.4 mm-40 -70.31 -43.95 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.85 83.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.41 -31.05 65.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.998 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.08 -55.52 12.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -63.22 -45.55 91.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.3 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.723 0.297 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.27 -35.31 52.14 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.495 2.13 . . . . 0.0 112.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.96 -29.52 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' A' ' 2' ' ' THR . 89.5 mm-40 -80.05 -45.28 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.817 ' NH1' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.72 -47.2 87.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -23.52 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -53.91 32.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.0 ptp85 -65.05 -39.04 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.817 HD11 ' NH1' ' A' ' 6' ' ' ARG . 13.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 6.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 51.5 Cg_exo -52.9 -29.31 42.99 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.496 2.131 . . . . 0.0 111.992 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.48 -53.53 9.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.76 -35.26 75.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.37 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -83.57 -23.85 31.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.018 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.46 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -144.84 -46.8 0.24 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.849 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.706 0.288 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.45 -36.03 94.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.553 2.168 . . . . 0.0 112.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.44 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.27 -27.7 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.91 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -67.89 -43.3 79.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -49.04 74.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.15 -17.55 53.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.498 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.079 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 5' ' ' GLN . 1.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.628 0.251 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.57 -46.14 35.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.545 2.163 . . . . 0.0 112.254 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.99 -30.85 62.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HB2' HG23 ' A' ' 2' ' ' THR . 5.5 mm-40 -75.71 -44.36 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.4 -44.3 92.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.0 -51.82 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.55 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -41.6 89.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.195 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.652 0.263 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.66 -28.0 35.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.411 2.074 . . . . 0.0 112.085 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.08 -37.63 66.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.71 -51.56 40.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -53.25 -25.0 12.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.6 -51.59 66.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.781 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -84.36 -30.8 25.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.06 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.733 0.301 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.14 -38.81 71.62 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.699 2.266 . . . . 0.0 112.181 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.52 68.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -85.01 -17.93 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -41.91 76.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.06 0.457 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.56 -36.21 71.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -56.76 6.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -62.13 -18.53 61.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.368 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.396 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -157.78 148.17 15.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.62 -38.2 75.64 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.531 2.154 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -30.23 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.67 -25.91 68.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -53.37 47.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.935 0.397 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -64.6 -48.99 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -15.24 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.526 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.18 -22.27 16.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -163.18 35.25 0.09 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -106.41 74.07 1.0 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.789 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -129.12 52.65 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.83 21.82 1.54 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.056 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -130.12 115.51 17.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.56 98.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -177.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -108.02 151.75 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.87 76.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -106.41 150.55 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 125.58 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.828 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 12.1 t -114.31 145.34 33.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.41 -39.0 70.18 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.248 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.78 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 2' ' ' THR . 26.3 mm-40 -89.73 -32.97 16.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -71.9 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.13 5.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.992 0.425 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 3.7 ptm85 -57.91 -24.24 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -18.47 30.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.323 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.02 22.85 5.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.35 34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.406 0.622 . . . . 0.0 110.739 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 ttt -111.73 -29.14 7.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.961 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -55.12 96.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 47.86 95.98 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.626 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -90.92 155.89 18.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.57 141.39 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.01 -176.17 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.56 125.78 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 154.28 17.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.35 31.32 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.4 -179.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 7.5 p -137.19 154.97 76.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.793 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 12.1 Cg_endo -55.59 -26.45 55.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.397 2.064 . . . . 0.0 111.88 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.5 76.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.1 -25.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.44 ' HG3' HD12 ' A' ' 10' ' ' LEU . 6.8 tpt180 -60.21 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.987 0.422 . . . . 0.0 110.618 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.22 -29.96 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.77 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -50.29 4.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 6' ' ' ARG . 12.0 mt -65.53 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.93 31.25 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.12 38.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.317 0.579 . . . . 0.0 110.783 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.35 152.99 3.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.08 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.33 43.48 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.796 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' ARG . . . -149.67 -46.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.53 99.24 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.62 81.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.8 63.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -125.89 76.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -88.17 122.36 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 60.46 94.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.16 164.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.818 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.516 HG22 ' HG3' ' A' ' 5' ' ' GLN . 15.1 t -146.61 144.18 20.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.33 -35.04 75.53 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.77 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 2' ' ' THR . 1.5 mm-40 -71.14 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -43.87 92.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.4 mm100 -58.92 -33.44 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.031 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -59.0 -40.64 85.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 7' ' ' GLN . 3.6 mt -59.54 -18.71 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 25.98 5.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.12 35.36 0.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.329 0.585 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 ttt -138.24 30.27 2.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m 57.94 56.46 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.1 19.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.977 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.3 t80 50.99 79.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.18 156.5 28.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.46 147.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt 60.07 55.29 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.59 153.74 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -133.6 81.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.85 146.93 47.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.059 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.868 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.864 0.364 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 p -77.33 163.41 64.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.27 -29.05 45.34 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.33 -51.68 49.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -65.5 -29.97 70.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.38 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.11 -24.51 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.89 -55.41 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -38.75 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 10' ' ' LEU . 23.1 mt -55.98 -23.51 32.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 23.4 7.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -179.48 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.382 0.61 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 mmt -85.27 115.25 22.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.83 45.77 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.93 -46.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.67 -179.7 3.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.71 76.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.91 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -137.64 92.1 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -60.26 171.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -107.47 156.5 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.17 -46.03 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.91 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.5 t -109.34 146.48 34.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.76 -36.47 82.34 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.401 2.067 . . . . 0.0 112.31 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.01 67.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 2' ' ' THR . 96.1 mm-40 -87.2 -44.45 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -41.4 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 10' ' ' LEU . 1.6 tp-100 -56.64 -30.53 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.37 90.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -59.52 -30.33 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.7 mt -67.1 -9.83 43.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.858 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 tp -89.94 18.17 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.631 0.253 . . . . 0.0 111.331 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.74 35.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.4 0.619 . . . . 0.0 110.734 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 tpp -144.5 -49.09 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.719 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.33 -163.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.58 -5.61 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.893 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.92 93.42 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.912 0.387 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.34 93.89 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.38 87.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.67 88.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.06 120.68 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 60.77 176.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.47 -174.63 3.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.913 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 3.0 p -102.41 154.8 37.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 28.0 Cg_endo -62.45 -24.95 75.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.474 2.116 . . . . 0.0 111.822 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.41 89.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.061 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -64.04 -47.6 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -37.93 89.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.64 85.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -63.79 -49.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -24.18 45.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 28.34 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 36.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.379 0.609 . . . . 0.0 110.897 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.0 ttm -172.63 37.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -158.61 46.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.4 -42.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.239 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.17 163.71 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.24 149.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.89 158.97 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? 60.29 -177.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.51 171.91 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 61.75 114.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.0 34.26 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.2 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.847 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -161.49 150.52 13.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -39.75 74.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.626 2.217 . . . . 0.0 112.478 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.92 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.234 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -69.94 -48.91 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.17 89.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -34.0 75.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.692 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -24.21 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -71.9 -62.53 1.39 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -22.84 62.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.091 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -55.37 8.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -178.54 36.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.271 0.558 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.7 tpt -140.68 50.23 1.67 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -129.01 125.75 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.0 21.93 1.67 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.995 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -127.78 75.81 1.63 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.75 168.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.15 102.83 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt 59.74 92.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.64 140.57 58.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.54 122.14 24.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.86 -176.34 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.912 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.859 0.361 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 HG22 ' HG3' ' A' ' 5' ' ' GLN . 9.5 t -139.42 145.05 42.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.36 -40.21 25.89 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.508 2.139 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.55 -29.06 49.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.4 mm-40 -70.31 -43.95 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.85 83.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.41 -31.05 65.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.998 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.08 -55.52 12.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -63.22 -45.55 91.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -30.93 65.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.7 24.75 7.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -177.31 36.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.472 0.653 . . . . 0.0 110.96 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 ptp -64.12 116.74 6.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -125.75 91.59 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.15 22.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.004 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.31 79.13 9.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.7 153.81 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.33 102.5 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -90.94 97.74 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -96.29 114.06 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -102.94 38.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 86.17 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.855 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.3 t -157.19 148.7 17.0 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.27 -35.31 52.14 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.495 2.13 . . . . 0.0 112.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.96 -29.52 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' A' ' 2' ' ' THR . 89.5 mm-40 -80.05 -45.28 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.817 ' NH1' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.72 -47.2 87.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -23.52 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -53.91 32.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.0 ptp85 -65.05 -39.04 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.817 HD11 ' NH1' ' A' ' 6' ' ' ARG . 13.4 mt -62.85 -24.79 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 11.7 tp -110.96 32.72 5.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -168.91 35.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.416 0.626 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 tpt -126.3 28.65 5.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.3 43.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.08 -23.19 5.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 76.3 t80 61.57 57.04 2.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 110.798 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.48 -175.69 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.87 137.85 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.56 149.98 49.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -118.68 165.03 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.11 149.46 21.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.943 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.885 0.374 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 6.5 p -124.18 163.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 51.5 Cg_exo -52.9 -29.31 42.99 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.496 2.131 . . . . 0.0 111.992 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.48 -53.53 9.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.76 -35.26 75.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.37 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -83.57 -23.85 31.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.018 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.46 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -144.84 -46.8 0.24 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp 56.91 38.02 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.849 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.53 42.88 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.31 37.47 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.252 0.548 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 tpt 45.19 49.92 9.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.394 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.8 m -131.37 47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.46 -73.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.98 173.23 9.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.17 174.81 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' ' HD3' ' A' ' 20' ' ' ARG . . . -172.43 -171.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.79 70.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -154.34 129.02 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -80.87 152.68 28.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 94.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t -82.18 146.82 55.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.768 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.45 -36.03 94.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.553 2.168 . . . . 0.0 112.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.44 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.27 -27.7 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.91 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -67.89 -43.3 79.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -49.04 74.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.15 -17.55 53.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.498 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD23 ' CB ' ' A' ' 13' ' ' MET . 5.1 tp -87.62 20.92 2.73 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt 65.07 38.54 6.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.915 0.388 . . . . 0.0 110.732 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 55.27 35.95 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.507 ' CB ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.56 -23.01 64.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.037 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 t -70.4 65.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.36 -41.14 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -172.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.24 -175.49 5.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.78 165.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -159.57 77.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -115.89 82.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -104.87 -60.65 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 129.94 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.939 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 5' ' ' GLN . 1.5 t -131.76 145.87 59.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.57 -46.14 35.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.545 2.163 . . . . 0.0 112.254 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.99 -30.85 62.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HB2' HG23 ' A' ' 2' ' ' THR . 5.5 mm-40 -75.71 -44.36 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.4 -44.3 92.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.0 -51.82 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.55 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -41.6 89.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp -97.17 23.76 7.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.92 -50.76 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -178.05 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.36 0.6 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.46 -167.78 1.92 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t 64.98 47.84 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.04 -45.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.23 72.67 1.26 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.778 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.41 96.94 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.93 80.99 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.4 93.69 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.33 47.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.41 83.44 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.55 30.96 20.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.906 0.384 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p -123.09 163.37 34.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.66 -28.0 35.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.411 2.074 . . . . 0.0 112.085 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.08 -37.63 66.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.71 -51.56 40.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -53.25 -25.0 12.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.6 -51.59 66.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.781 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -84.36 -30.8 25.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.21 -25.38 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 24.95 6.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -178.29 37.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.365 0.603 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.28 138.77 38.77 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m 59.29 45.69 13.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.01 -74.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.47 82.11 1.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.805 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.91 135.55 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.26 158.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -136.49 76.56 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.48 47.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -125.26 -66.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.99 -42.28 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.78 150.07 58.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.14 -38.81 71.62 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.699 2.266 . . . . 0.0 112.181 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.52 68.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -85.01 -17.93 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -41.91 76.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.06 0.457 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -57.56 -36.21 71.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -56.76 6.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -62.13 -18.53 61.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.368 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD23 ' CB ' ' A' ' 13' ' ' MET . 8.3 tp -59.37 -10.62 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.396 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.9 tp 84.91 42.85 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.109 0.481 . . . . 0.0 110.363 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? 58.8 35.82 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.764 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.525 ' CB ' HD23 ' A' ' 10' ' ' LEU . 4.3 mtt -92.28 50.58 1.65 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -113.43 47.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.36 -43.47 1.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.94 134.17 43.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.62 170.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.71 153.97 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.81 117.39 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -111.28 47.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 67.48 -69.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.74 164.24 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.869 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.678 0.275 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.62 -38.2 75.64 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.531 2.154 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -30.23 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.67 -25.91 68.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -53.37 47.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.935 0.397 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -64.6 -48.99 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.526 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 12.1 t . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.645 0.259 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.41 -39.0 70.18 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.248 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.78 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 2' ' ' THR . 26.3 mm-40 -89.73 -32.97 16.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -71.9 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.13 5.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.992 0.425 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 3.7 ptm85 -57.91 -24.24 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.323 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 7.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.615 0.245 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 12.1 Cg_endo -55.59 -26.45 55.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.397 2.064 . . . . 0.0 111.88 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.5 76.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.1 -25.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.44 ' HG3' HD12 ' A' ' 10' ' ' LEU . 6.8 tpt180 -60.21 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.987 0.422 . . . . 0.0 110.618 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.22 -29.96 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.77 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -50.29 4.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 6' ' ' ARG . 12.0 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.195 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.516 HG22 ' HG3' ' A' ' 5' ' ' GLN . 15.1 t . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.626 0.251 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.33 -35.04 75.53 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.77 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 2' ' ' THR . 1.5 mm-40 -71.14 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -43.87 92.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.4 mm100 -58.92 -33.44 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.031 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -59.0 -40.64 85.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 7' ' ' GLN . 3.6 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.707 0.289 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.27 -29.05 45.34 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.33 -51.68 49.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -65.5 -29.97 70.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.38 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.11 -24.51 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.89 -55.41 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -38.75 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 10' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.5 t . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.706 0.289 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.76 -36.47 82.34 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.401 2.067 . . . . 0.0 112.31 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.01 67.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 2' ' ' THR . 96.1 mm-40 -87.2 -44.45 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -41.4 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 10' ' ' LEU . 1.6 tp-100 -56.64 -30.53 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.37 90.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -59.52 -30.33 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.858 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 3.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.672 0.272 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 28.0 Cg_endo -62.45 -24.95 75.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.474 2.116 . . . . 0.0 111.822 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.41 89.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.061 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -64.04 -47.6 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -37.93 89.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.64 85.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -63.79 -49.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.67 0.272 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -39.75 74.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.626 2.217 . . . . 0.0 112.478 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.92 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.234 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -69.94 -48.91 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.17 89.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -34.0 75.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.692 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -24.21 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -71.9 -62.53 1.39 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.091 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.409 HG22 ' HG3' ' A' ' 5' ' ' GLN . 9.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.695 0.283 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.36 -40.21 25.89 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.508 2.139 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.55 -29.06 49.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.4 mm-40 -70.31 -43.95 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.85 83.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.41 -31.05 65.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.998 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.08 -55.52 12.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -63.22 -45.55 91.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.3 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.723 0.297 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.27 -35.31 52.14 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.495 2.13 . . . . 0.0 112.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.96 -29.52 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' A' ' 2' ' ' THR . 89.5 mm-40 -80.05 -45.28 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.817 ' NH1' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.72 -47.2 87.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -23.52 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -53.91 32.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.0 ptp85 -65.05 -39.04 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.817 HD11 ' NH1' ' A' ' 6' ' ' ARG . 13.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 6.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 51.5 Cg_exo -52.9 -29.31 42.99 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.496 2.131 . . . . 0.0 111.992 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.48 -53.53 9.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.76 -35.26 75.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.37 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -83.57 -23.85 31.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.018 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.46 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -144.84 -46.8 0.24 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.849 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.706 0.288 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.45 -36.03 94.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.553 2.168 . . . . 0.0 112.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.44 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.27 -27.7 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.91 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -67.89 -43.3 79.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -49.04 74.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.15 -17.55 53.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.498 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.079 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 5' ' ' GLN . 1.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.628 0.251 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.57 -46.14 35.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.545 2.163 . . . . 0.0 112.254 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.99 -30.85 62.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HB2' HG23 ' A' ' 2' ' ' THR . 5.5 mm-40 -75.71 -44.36 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.4 -44.3 92.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.0 -51.82 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.55 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -41.6 89.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.195 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.652 0.263 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.66 -28.0 35.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.411 2.074 . . . . 0.0 112.085 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.08 -37.63 66.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.71 -51.56 40.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -53.25 -25.0 12.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.6 -51.59 66.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.781 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -84.36 -30.8 25.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.06 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.733 0.301 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.14 -38.81 71.62 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.699 2.266 . . . . 0.0 112.181 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.52 68.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -85.01 -17.93 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -41.91 76.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.06 0.457 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -57.56 -36.21 71.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -56.76 6.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -62.13 -18.53 61.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.368 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.396 179.74 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -157.78 148.17 15.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.62 -38.2 75.64 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.531 2.154 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -30.23 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.67 -25.91 68.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.02 -53.37 47.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.935 0.397 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -64.6 -48.99 72.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -15.24 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.526 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.18 -22.27 16.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -163.18 35.25 0.09 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -106.41 74.07 1.0 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.789 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -129.12 52.65 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.83 21.82 1.54 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.056 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -130.12 115.51 17.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.56 98.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.35 -177.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -108.02 151.75 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.87 76.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -106.41 150.55 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 125.58 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.828 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' GLN . 12.1 t -114.31 145.34 33.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.41 -39.0 70.18 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.248 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.78 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' H ' HG23 ' A' ' 2' ' ' THR . 26.3 mm-40 -89.73 -32.97 16.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -71.9 -28.97 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.13 5.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.992 0.425 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 3.7 ptm85 -57.91 -24.24 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -18.47 30.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.323 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.02 22.85 5.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.031 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.35 34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.406 0.622 . . . . 0.0 110.739 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 ttt -111.73 -29.14 7.81 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.961 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -55.12 96.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 47.86 95.98 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.626 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -90.92 155.89 18.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.57 141.39 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.01 -176.17 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.56 125.78 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 154.28 17.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.35 31.32 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.4 -179.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 7.5 p -137.19 154.97 76.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.793 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 12.1 Cg_endo -55.59 -26.45 55.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.397 2.064 . . . . 0.0 111.88 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.5 76.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.1 -25.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.44 ' HG3' HD12 ' A' ' 10' ' ' LEU . 6.8 tpt180 -60.21 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.987 0.422 . . . . 0.0 110.618 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -67.22 -29.96 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.77 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -50.29 4.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 6' ' ' ARG . 12.0 mt -65.53 -36.54 84.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.93 31.25 6.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.12 38.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.317 0.579 . . . . 0.0 110.783 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.35 152.99 3.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.08 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.33 43.48 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.796 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' ARG . . . -149.67 -46.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.53 99.24 8.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.62 81.03 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.8 63.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -125.89 76.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -88.17 122.36 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 60.46 94.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.16 164.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.818 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.76 0.314 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.516 HG22 ' HG3' ' A' ' 5' ' ' GLN . 15.1 t -146.61 144.18 20.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.33 -35.04 75.53 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.77 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 2' ' ' THR . 1.5 mm-40 -71.14 -37.38 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -43.87 92.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.4 mm100 -58.92 -33.44 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.031 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -59.0 -40.64 85.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 7' ' ' GLN . 3.6 mt -59.54 -18.71 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 25.98 5.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.12 35.36 0.34 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.329 0.585 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 ttt -138.24 30.27 2.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m 57.94 56.46 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.1 19.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.977 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.3 t80 50.99 79.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.18 156.5 28.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.46 147.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt 60.07 55.29 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.59 153.74 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -133.6 81.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.85 146.93 47.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.059 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.868 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.864 0.364 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 p -77.33 163.41 64.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.27 -29.05 45.34 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.33 -51.68 49.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -65.5 -29.97 70.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -44.38 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.11 -24.51 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.89 -55.41 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -38.75 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 10' ' ' LEU . 23.1 mt -55.98 -23.51 32.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 23.4 7.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -179.48 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.382 0.61 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 mmt -85.27 115.25 22.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.83 45.77 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.93 -46.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.67 -179.7 3.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.71 76.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.91 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -137.64 92.1 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -60.26 171.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -107.47 156.5 18.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.17 -46.03 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.91 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.886 0.374 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.5 t -109.34 146.48 34.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.76 -36.47 82.34 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.401 2.067 . . . . 0.0 112.31 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.01 67.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 2' ' ' THR . 96.1 mm-40 -87.2 -44.45 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -41.4 83.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 10' ' ' LEU . 1.6 tp-100 -56.64 -30.53 63.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.959 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.37 90.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -59.52 -30.33 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 7' ' ' GLN . 9.7 mt -67.1 -9.83 43.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.858 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 tp -89.94 18.17 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.631 0.253 . . . . 0.0 111.331 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.74 35.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.4 0.619 . . . . 0.0 110.734 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 tpp -144.5 -49.09 0.27 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.719 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.33 -163.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.58 -5.61 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.893 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.92 93.42 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.912 0.387 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.34 93.89 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.38 87.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.67 88.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.06 120.68 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 60.77 176.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.47 -174.63 3.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.913 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 3.0 p -102.41 154.8 37.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 28.0 Cg_endo -62.45 -24.95 75.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.474 2.116 . . . . 0.0 111.822 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.41 89.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.061 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -64.04 -47.6 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -37.93 89.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.64 85.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -63.79 -49.91 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -24.18 45.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 28.34 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 36.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.379 0.609 . . . . 0.0 110.897 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.0 ttm -172.63 37.57 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -158.61 46.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.4 -42.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.239 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.17 163.71 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.24 149.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.89 158.97 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? 60.29 -177.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.51 171.91 7.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 61.75 114.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.0 34.26 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.2 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.847 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -161.49 150.52 13.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -39.75 74.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.626 2.217 . . . . 0.0 112.478 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.92 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.234 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -69.94 -48.91 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.17 89.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -34.0 75.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.692 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -24.21 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -71.9 -62.53 1.39 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -22.84 62.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.091 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.91 -55.37 8.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -178.54 36.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.271 0.558 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.7 tpt -140.68 50.23 1.67 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.826 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -129.01 125.75 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.0 21.93 1.67 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.995 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -127.78 75.81 1.63 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.75 168.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.15 102.83 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt 59.74 92.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.64 140.57 58.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -132.54 122.14 24.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.86 -176.34 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.912 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.859 0.361 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 HG22 ' HG3' ' A' ' 5' ' ' GLN . 9.5 t -139.42 145.05 42.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.36 -40.21 25.89 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.508 2.139 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.55 -29.06 49.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.4 mm-40 -70.31 -43.95 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.85 83.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -57.41 -31.05 65.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.998 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.08 -55.52 12.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -63.22 -45.55 91.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -30.93 65.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.7 24.75 7.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.018 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -177.31 36.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.472 0.653 . . . . 0.0 110.96 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 ptp -64.12 116.74 6.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -125.75 91.59 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.15 22.38 1.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.004 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.31 79.13 9.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.7 153.81 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.33 102.5 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -90.94 97.74 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -96.29 114.06 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -102.94 38.91 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 86.17 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.855 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.846 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.529 HG23 ' HG2' ' A' ' 5' ' ' GLN . 1.3 t -157.19 148.7 17.0 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.27 -35.31 52.14 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.495 2.13 . . . . 0.0 112.197 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.96 -29.52 60.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.529 ' HG2' HG23 ' A' ' 2' ' ' THR . 89.5 mm-40 -80.05 -45.28 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.817 ' NH1' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.72 -47.2 87.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -23.52 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -53.91 32.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.0 ptp85 -65.05 -39.04 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.817 HD11 ' NH1' ' A' ' 6' ' ' ARG . 13.4 mt -62.85 -24.79 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 11.7 tp -110.96 32.72 5.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -168.91 35.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.416 0.626 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 tpt -126.3 28.65 5.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.3 43.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.79 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.08 -23.19 5.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 76.3 t80 61.57 57.04 2.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.936 0.398 . . . . 0.0 110.798 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.48 -175.69 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.87 137.85 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.56 149.98 49.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -118.68 165.03 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.11 149.46 21.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.943 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.885 0.374 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 6.5 p -124.18 163.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 2' ' ' THR . 51.5 Cg_exo -52.9 -29.31 42.99 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.496 2.131 . . . . 0.0 111.992 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.48 -53.53 9.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.76 -35.26 75.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -45.37 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.644 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -83.57 -23.85 31.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.018 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.46 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -144.84 -46.8 0.24 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp 56.91 38.02 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.849 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.53 42.88 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.31 37.47 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.252 0.548 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 tpt 45.19 49.92 9.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.394 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.8 m -131.37 47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.46 -73.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -86.98 173.23 9.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.17 174.81 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' ' HD3' ' A' ' 20' ' ' ARG . . . -172.43 -171.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.79 70.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -154.34 129.02 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -80.87 152.68 28.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 60.4 94.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t -82.18 146.82 55.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.768 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.45 -36.03 94.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.553 2.168 . . . . 0.0 112.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.44 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.27 -27.7 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -42.91 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -67.89 -43.3 79.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -49.04 74.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.15 -17.55 53.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.498 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD23 ' CB ' ' A' ' 13' ' ' MET . 5.1 tp -87.62 20.92 2.73 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt 65.07 38.54 6.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.915 0.388 . . . . 0.0 110.732 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 55.27 35.95 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.507 ' CB ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.56 -23.01 64.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.037 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 t -70.4 65.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.36 -41.14 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -172.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.24 -175.49 5.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.78 165.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -159.57 77.95 0.7 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -115.89 82.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -104.87 -60.65 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 129.94 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.939 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 5' ' ' GLN . 1.5 t -131.76 145.87 59.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.57 -46.14 35.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.545 2.163 . . . . 0.0 112.254 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.99 -30.85 62.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.476 ' HB2' HG23 ' A' ' 2' ' ' THR . 5.5 mm-40 -75.71 -44.36 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.4 -44.3 92.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.0 -51.82 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.55 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -41.6 89.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mp -97.17 23.76 7.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.92 -50.76 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -178.05 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.36 0.6 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.46 -167.78 1.92 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t 64.98 47.84 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.04 -45.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.23 72.67 1.26 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.778 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.41 96.94 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.93 80.99 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.4 93.69 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.33 47.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.41 83.44 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.55 30.96 20.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.906 0.384 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p -123.09 163.37 34.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.66 -28.0 35.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.411 2.074 . . . . 0.0 112.085 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.08 -37.63 66.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.71 -51.56 40.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -53.25 -25.0 12.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.6 -51.59 66.71 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.781 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -84.36 -30.8 25.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.21 -25.38 32.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 24.95 6.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -178.29 37.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.365 0.603 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.28 138.77 38.77 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m 59.29 45.69 13.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.01 -74.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.47 82.11 1.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.805 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.91 135.55 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.26 158.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -136.49 76.56 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.48 47.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -125.26 -66.73 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.99 -42.28 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.78 150.07 58.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.14 -38.81 71.62 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.699 2.266 . . . . 0.0 112.181 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.52 68.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -85.01 -17.93 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -41.91 76.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.06 0.457 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -57.56 -36.21 71.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -56.76 6.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -62.13 -18.53 61.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.368 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD23 ' CB ' ' A' ' 13' ' ' MET . 8.3 tp -59.37 -10.62 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.396 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.9 tp 84.91 42.85 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.109 0.481 . . . . 0.0 110.363 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? 58.8 35.82 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.764 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.525 ' CB ' HD23 ' A' ' 10' ' ' LEU . 4.3 mtt -92.28 50.58 1.65 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -113.43 47.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.36 -43.47 1.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.94 134.17 43.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.62 170.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.71 153.97 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.81 117.39 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -111.28 47.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 67.48 -69.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.74 164.24 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.869 -179.968 . . . . . . . . 0 0 . 1 stop_ save_