data_6o3q_residue ############################ # Computer software used # ############################ 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 6o3q _Structure_validation_residue.Date_analyzed 2019-04-19 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 ' 7' ' ' TYR . . . . . 0.4 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 47.0 t80 . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.65 -45.48 93.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -56.2 -47.57 78.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.4 tp -57.83 -47.81 81.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.596 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 50.1 mt-30 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.524 0.515 . . . . 0.0 111.211 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.56 -52.95 63.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.5 -37.08 85.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -59.71 -44.92 93.52 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 118.095 0.407 . . . . 0.0 110.583 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -61.45 -48.88 79.13 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 123.711 0.632 . . . . 0.0 110.98 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.4 m -54.14 -38.32 65.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.512 0.508 . . . . 0.0 112.251 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.8 mt-30 -69.66 -16.26 63.33 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -110.15 -35.42 6.11 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.2 0.524 . . . . 0.0 110.985 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.45 -23.28 19.2 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.36 163.7 22.0 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.75 164.77 37.74 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 122.894 0.478 . . . . 0.0 109.82 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.27 -130.15 46.52 Favored Glycine 0 C--O 1.254 1.365 0 O-C-N 123.852 0.72 . . . . 0.0 112.859 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.0 tp-100 -61.31 -44.28 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.822 0.849 . . . . 0.0 108.886 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -57.7 -35.48 70.69 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.934 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.4 tp -68.86 -50.84 46.42 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.853 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.46 -35.26 80.35 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 123.537 0.523 . . . . 0.0 111.539 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 44.1 mt-10 -73.25 -41.05 64.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.503 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.7 t -59.1 -53.85 53.7 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.44 -28.92 70.3 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.75 -39.28 76.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 47.9 mtm180 -63.47 -37.49 87.48 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.7 m -59.49 -43.34 93.32 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.253 0.549 . . . . 0.0 109.544 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.7 -36.17 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.325 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -69.66 -44.47 70.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.42 -43.23 96.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.43 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 123.32 0.648 . . . . 0.0 110.845 175.23 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.0 t80 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.86 -46.4 85.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 0.0 109.899 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -61.72 -36.51 81.17 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.087 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.62 -48.1 80.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.724 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.5 mt-30 -54.94 -51.85 64.81 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 123.688 0.617 . . . . 0.0 109.733 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 19.3 mm-40 -55.16 -50.64 68.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.199 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.1 t -61.12 -47.62 85.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 43.7 mt-30 -62.96 -44.63 95.53 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.844 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -63.38 -36.64 84.37 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 80.0 mtp180 -64.33 -40.99 96.98 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.8 m -63.39 -37.52 87.6 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.757 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 23.2 mt-30 -67.03 -23.74 65.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.781 0.324 . . . . 0.0 111.142 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -85.13 -55.07 4.23 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.413 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.8 -22.77 39.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -125.17 160.41 29.22 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.737 0.78 . . . . 0.0 112.785 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -152.65 171.02 18.82 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.32 -144.14 49.03 Favored Glycine 0 C--O 1.253 1.286 0 O-C-N 123.681 0.613 . . . . 0.0 112.968 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -64.69 -34.99 79.6 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.9 0.88 . . . . 0.0 110.63 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -64.56 -34.6 78.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.426 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 23.8 tp -66.51 -42.48 87.29 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.66 -46.83 83.73 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 124.015 0.822 . . . . 0.0 109.581 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 70.7 mm-40 -63.37 -48.77 76.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.074 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.5 t -57.01 -52.63 64.5 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.044 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -69.02 -28.96 67.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.816 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.0 tt0 -64.84 -40.3 94.95 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 85.6 mtt180 -63.37 -35.45 80.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -66.0 -40.6 91.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -65.04 -39.77 93.82 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.388 177.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.1 mm-40 -58.87 -48.66 80.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.903 0.752 . . . . 0.0 109.552 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.41 -50.95 68.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 O-C-N 123.575 0.547 . . . . 0.0 110.93 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.5 t80 . . . . . 0 C--N 1.33 -0.278 0 O-C-N 124.404 1.065 . . . . 0.0 111.645 179.404 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -67.75 -47.17 70.0 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.01 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -64.82 -32.28 73.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.32 -46.77 85.15 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 47.2 mt-30 -56.13 -55.05 37.77 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.525 0.515 . . . . 0.0 110.718 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.32 -40.75 82.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.711 0.632 . . . . 0.0 111.772 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -65.24 -48.21 74.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.0 mt-30 -63.86 -44.43 93.16 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.051 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 71.0 mtt180 -56.07 -41.61 75.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.957 0.408 . . . . 0.0 111.68 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.58 -45.89 77.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.535 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.6 m -57.41 -36.8 71.8 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.885 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 37.2 mt-30 -73.83 -12.51 60.71 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.045 0.45 . . . . 0.0 111.832 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -101.16 -48.5 4.38 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.174 0.512 . . . . 0.0 110.16 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -80.48 -25.14 38.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.193 0.597 . . . . 0.0 112.593 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HG3' ' HB2' ' A' ' 29' ' ' CYS . 77.9 mm-40 -124.23 171.76 9.59 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -157.68 157.28 33.24 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.058 0.543 . . . . 0.0 109.581 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.76 -124.98 21.93 Favored Glycine 0 C--N 1.313 -0.713 0 O-C-N 124.889 1.368 . . . . 0.0 114.195 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -60.66 -39.73 89.47 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 123.737 0.815 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.96 -31.17 71.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.402 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.9 tp -67.04 -41.88 85.77 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -61.62 -37.84 85.45 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.406 0.441 . . . . 0.0 111.15 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 48.3 mt-10 -66.67 -47.9 71.04 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.927 0.394 . . . . 0.0 110.005 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 24.4 t -63.24 -52.21 63.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.712 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.9 pt20 -65.7 -28.23 68.91 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.302 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.65 -34.14 77.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 5.8 mmp_? -62.72 -43.67 98.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.6 m -60.97 -43.35 98.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.84 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.36 -42.06 90.69 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 123.636 0.585 . . . . 0.0 110.706 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -62.99 -48.27 79.55 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.6 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.96 -45.68 82.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.7 t80 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.808 175.037 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.445 -0.685 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.72 -48.22 75.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -65.97 -35.5 80.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.306 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -52.71 55.44 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 122.974 0.51 . . . . 0.0 111.233 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 12.3 pt20 -61.51 -41.72 97.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.94 -39.86 83.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.671 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.2 -50.27 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.451 0.3 . . . . 0.0 110.598 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.44 -37.66 88.16 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.51 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 35.5 mmt180 -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 110.426 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.0 mtp180 -63.1 -42.63 99.63 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.767 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -57.3 -36.82 71.56 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.54 -19.41 64.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.301 0.572 . . . . 0.0 111.288 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -91.4 -47.93 7.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 7.8 mm-40 -87.11 -25.15 24.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -173.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -124.08 171.64 9.62 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.03 164.33 38.64 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.34 -129.09 42.97 Favored Glycine 0 C--O 1.246 0.851 0 O-C-N 124.747 1.28 . . . . 0.0 115.183 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -66.92 -36.65 82.73 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -64.47 -31.47 72.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.281 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.83 -43.42 83.78 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.542 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.08 -44.71 87.7 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.741 0.651 . . . . 0.0 109.81 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.91 -44.26 85.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.024 0.827 . . . . 0.0 111.233 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.38 -49.34 75.93 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 25.6 mt-30 -63.96 -33.82 76.58 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.411 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.0 tt0 -60.23 -44.84 94.87 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.484 0.714 . . . . 0.0 109.6 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -57.99 -43.85 86.83 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -60.49 -43.84 96.57 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.074 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 78.5 mt-30 -66.38 -36.05 81.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.776 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.8 mm-40 -60.74 -46.84 88.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.42 -47.26 84.51 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.261 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 C--O 1.207 -1.16 0 O-C-N 123.41 0.443 . . . . 0.0 112.044 179.207 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 t80 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.32 -40.77 86.0 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.478 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -66.23 -35.71 81.14 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.912 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.95 -46.47 89.14 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.366 0.666 . . . . 0.0 110.708 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 48.7 mt-30 -59.3 -49.14 78.97 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.462 0.476 . . . . 0.0 109.999 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mm-40 -58.5 -41.07 84.55 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.194 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 t -63.18 -46.81 85.36 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.12 -44.73 87.78 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.391 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 11' ' ' GLN 0.312 0.0 OUTLIER -63.73 -23.35 67.33 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 177.488 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 82.3 mtp180 -77.52 -45.62 24.91 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.9 m -56.0 -39.3 71.67 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.266 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 15' ' ' ARG . 3.8 pt20 -78.66 -12.29 60.01 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.875 0.369 . . . . 0.0 111.802 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 m -94.65 -45.55 7.32 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.435 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.29 -25.7 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -125.01 168.88 12.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.011 0.434 . . . . 0.0 110.576 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -152.02 169.88 21.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.15 -130.39 50.94 Favored Glycine 0 C--O 1.25 1.121 0 O-C-N 124.199 0.937 . . . . 0.0 113.435 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 56.5 tp60 -73.37 -30.73 63.49 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -60.78 -36.03 77.94 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.763 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.6 tp -66.72 -43.29 84.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.24 -48.74 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.839 0.712 . . . . 0.0 110.798 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 43.0 mt-10 -59.8 -46.27 89.73 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.678 0.611 . . . . 0.0 110.313 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -62.8 -55.84 22.8 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.418 -177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 7.3 pt20 -62.08 -33.75 75.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.98 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 44.3 tt0 -57.18 -45.65 83.53 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 123.498 0.719 . . . . 0.0 110.146 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 94.9 mtt180 -69.01 -34.73 75.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.122 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.5 m -61.61 -36.24 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.185 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.88 -36.63 83.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.173 0.511 . . . . 0.0 110.429 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 67.9 mm-40 -71.82 -41.9 67.67 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.485 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 32' ' ' ARG . 49.4 mm-40 -55.89 -50.6 70.22 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.846 0.716 . . . . 0.0 109.443 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--N 1.324 -0.537 0 C-N-CA 124.264 1.026 . . . . 0.0 111.702 175.749 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -62.06 -45.19 94.64 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -54.67 -42.57 71.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.608 0.567 . . . . 0.0 110.375 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.32 -48.7 80.63 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.076 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 49.0 mt-30 -61.61 -46.07 91.37 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -55.66 -47.82 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.384 0.428 . . . . 0.0 110.017 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 t -57.86 -56.08 26.56 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.9 -41.09 97.79 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.537 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 36.2 mmt180 -66.64 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.757 0.313 . . . . 0.0 111.363 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -69.21 -42.06 76.25 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.5 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.22 -40.42 77.46 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.92 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -80.11 -12.98 59.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.115 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -89.29 -47.23 8.18 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.922 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.08 -25.13 23.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.2 mm-40 -118.59 161.25 20.35 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.935 -0.478 . . . . 0.0 110.371 -176.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -150.94 172.05 16.29 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.26 50.71 Favored Glycine 0 C--O 1.254 1.373 0 O-C-N 124.087 0.867 . . . . 0.0 112.868 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -74.29 -29.71 61.76 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.6 mmt180 -62.75 -40.3 96.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 14.4 tp -64.48 -46.35 83.41 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.154 175.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.47 -44.36 80.48 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 123.897 0.748 . . . . 0.0 111.41 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.28 -39.75 86.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.7 t -67.07 -48.67 67.52 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.2 pt20 -67.65 -28.96 68.15 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.06 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -60.55 -46.31 90.64 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 20.8 mtp180 -56.87 -50.68 71.75 Favored 'General case' 0 CA--C 1.491 -1.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.522 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -52.7 -46.23 67.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.064 0.853 . . . . 0.0 110.522 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -60.42 -49.63 76.8 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.0 mm-40 -65.09 -51.83 59.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.0 111.245 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.476 ' OE1' ' HB3' ' A' ' 32' ' ' ARG . 50.9 mt-10 -64.57 -39.83 94.46 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.456 -176.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 t80 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 172.519 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.6 t80 . . . . . 0 N--CA 1.44 -0.972 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -58.83 -43.8 90.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -58.63 -49.71 76.51 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.509 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.99 -49.23 78.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.573 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -52.89 -55.12 25.58 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.039 0.536 . . . . 0.0 111.105 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 25.5 mm-40 -62.95 -47.06 84.85 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.62 -49.72 75.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.548 0.53 . . . . 0.0 111.474 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 46.8 mt-30 -63.62 -43.84 95.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 121.297 -0.161 . . . . 0.0 110.907 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HA ' HE21 ' A' ' 18' ' ' GLN . 24.9 mtm180 -66.91 -35.11 79.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 10.5 mmm180 -61.72 -47.38 85.51 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -56.96 -38.51 73.08 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.108 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.3 mt-30 -68.8 -19.69 64.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 m -104.54 -38.25 6.84 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.968 0.413 . . . . 0.0 111.536 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.54 -24.73 22.83 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.1 mm-40 -125.97 165.94 17.85 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.85 166.53 33.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.05 -125.84 38.61 Favored Glycine 0 C--N 1.317 -0.495 0 O-C-N 124.063 0.852 . . . . 0.0 113.405 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.51 -27.45 66.14 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 122.912 0.485 . . . . 0.0 111.56 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 59.4 mtt180 -74.21 -31.73 62.74 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.237 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 48.1 tp -69.46 -43.41 73.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.267 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 11.3 mm100 -54.25 -53.66 50.65 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.123 0.89 . . . . 0.0 110.613 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 8.8 mm-40 -62.43 -47.67 83.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.953 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.9 t -57.45 -57.43 12.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 123.352 0.407 . . . . 0.0 112.022 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -65.36 -33.09 75.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.667 -176.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 9.0 tt0 -66.5 -36.31 82.41 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.272 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 99.7 mtt180 -64.06 -35.97 82.48 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.165 0.507 . . . . 0.0 109.859 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.3 m -64.78 -42.23 95.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.229 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 53.5 mt-30 -64.34 -36.28 83.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.269 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 34.0 mm-40 -58.15 -51.4 69.89 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.14 -43.8 82.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 C--N 1.318 -0.782 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.276 179.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.461 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 69.9 t80 . . . . . 0 N--CA 1.435 -1.197 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 42.8 mtmt -64.63 -40.35 95.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.794 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.63 -27.35 69.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.591 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' ' NE2' ' A' ' 14' ' ' GLN . 42.6 tp -62.74 -48.3 79.82 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.88 -39.05 90.56 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.305 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 9.8 mm-40 -55.06 -51.41 66.42 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.627 0.58 . . . . 0.0 109.888 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -61.6 -47.47 85.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.653 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.545 ' NE2' ' HG ' ' A' ' 10' ' ' LEU . 46.8 mt-30 -64.09 -45.04 90.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.202 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 29.0 mmm180 -61.44 -31.06 70.99 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.372 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -69.03 -44.75 72.08 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.2 m -59.83 -37.16 78.45 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.558 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 90.6 mt-30 -68.17 -32.79 73.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 m -86.0 -47.27 9.74 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.795 0.331 . . . . 0.0 111.608 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.89 -25.54 37.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -121.31 168.06 12.06 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.53 161.65 42.03 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 122.524 0.33 . . . . 0.0 110.175 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.33 -124.61 35.25 Favored Glycine 0 N--CA 1.448 -0.551 0 O-C-N 124.327 1.017 . . . . 0.0 113.579 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.15 -33.51 71.88 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 122.926 0.491 . . . . 0.0 110.412 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.78 -33.07 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.574 0.702 . . . . 0.0 109.501 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 25.9 tp -68.67 -45.64 71.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.87 175.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 14.6 mm100 -53.72 -45.88 70.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.092 0.87 . . . . 0.0 110.749 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 36.5 mm-40 -68.12 -46.11 71.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 t -60.44 -49.83 76.0 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -63.56 -36.8 84.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.026 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.0 tt0 -57.81 -47.33 82.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.55 0.531 . . . . 0.0 109.912 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 24.6 mtm180 -61.83 -41.78 98.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.81 -38.55 91.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.206 0.527 . . . . 0.0 110.507 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.99 -32.5 74.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.181 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.27 -43.78 67.72 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.524 0.73 . . . . 0.0 111.066 175.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 . . . . . 0 C--N 1.322 -0.596 0 O-C-N 123.938 0.774 . . . . 0.0 110.976 176.516 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 . . . . . 0 CA--C 1.508 -0.668 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 20.8 ttpp -65.86 -41.21 91.96 Favored 'General case' 0 C--O 1.193 -1.907 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -54.33 -46.46 72.9 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.32 0.648 . . . . 0.0 110.706 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.66 -45.94 90.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.654 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.67 97.62 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.659 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 75.9 mm-40 -55.91 -49.41 73.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.65 -49.4 77.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.6 mt-30 -64.91 -37.44 87.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.063 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.77 -43.14 98.41 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -62.79 -49.26 75.67 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.449 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.95 -38.5 73.04 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.164 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 60.2 mt-30 -77.63 -12.12 59.94 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 m -99.09 -52.19 3.61 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.394 0.616 . . . . 0.0 110.295 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.48 -13.71 42.38 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 63.2 mm-40 -125.12 155.92 39.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.76 159.05 43.03 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.58 -116.36 3.63 Favored Glycine 0 C--N 1.309 -0.962 0 O-C-N 124.661 1.225 . . . . 0.0 115.131 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -75.42 -31.51 60.41 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.243 0.617 . . . . 0.0 110.459 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -64.11 -37.66 88.24 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 21.0 tp -63.98 -41.57 97.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.822 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.35 -42.89 99.44 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.342 0.401 . . . . 0.0 111.085 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.72 -46.38 82.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.689 0.281 . . . . 0.0 110.832 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.42 ' SG ' ' HG3' ' A' ' 21' ' ' GLN . 33.8 t -59.91 -54.22 48.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.7 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -67.51 -28.48 67.86 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.679 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.83 -43.67 98.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.32 -41.34 75.84 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.619 0.574 . . . . 0.0 110.25 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.8 m -57.39 -34.42 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.539 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -64.67 -54.2 35.42 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.035 178.212 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.85 -40.81 81.0 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.04 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.05 -40.01 95.35 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--N 1.298 -1.652 0 C-N-CA 123.377 0.671 . . . . 0.0 111.464 175.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.6 t80 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 59.7 mtpt -66.51 -44.65 81.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -57.81 -42.74 84.89 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 123.696 0.623 . . . . 0.0 110.034 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 30.6 tp -57.45 -49.01 77.65 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.188 175.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 77.1 mt-30 -54.65 -54.18 44.96 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 123.965 0.79 . . . . 0.0 109.792 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 47.5 mt-10 -55.07 -48.38 73.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.032 0.833 . . . . 0.0 110.226 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -58.5 -55.15 38.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.068 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.14 -37.8 88.57 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.33 -38.91 92.71 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.425 0.155 . . . . 0.0 111.27 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 83.4 mtp180 -65.75 -42.23 91.19 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.899 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.45 -39.22 79.27 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.975 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.7 mt-30 -67.03 -21.34 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 112.02 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -87.32 -54.08 4.49 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 120.949 0.404 . . . . 0.0 110.041 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -82.1 -25.56 34.38 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -124.12 157.52 34.44 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.401 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.22 165.54 31.55 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.284 0.634 . . . . 0.0 109.548 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.9 -133.55 52.69 Favored Glycine 0 C--N 1.315 -0.623 0 O-C-N 123.926 0.766 . . . . 0.0 112.979 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.7 -34.62 74.64 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.605 0.762 . . . . 0.0 110.553 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.022 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 59.7 tp -69.4 -45.36 69.43 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.61 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.69 -55.77 15.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.61 -44.64 96.62 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.754 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 13.1 t -64.04 -52.96 56.93 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 123.631 0.582 . . . . 0.0 111.087 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -70.75 -32.18 69.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.011 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.15 -35.79 78.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 36.2 ptt180 -71.87 -29.22 64.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.851 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.73 -39.74 95.05 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.73 0.644 . . . . 0.0 109.654 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -60.53 -44.06 96.49 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.25 0.547 . . . . 0.0 109.72 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.44 -45.51 87.14 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.203 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -56.52 -42.55 78.61 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.086 0.469 . . . . 0.0 111.07 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 t80 . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.637 175.411 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.3 t80 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.76 -48.95 72.68 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.205 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -58.84 -39.05 80.14 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.269 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.21 -50.74 72.86 Favored 'General case' 0 C--O 1.25 1.09 0 C-N-CA 122.825 0.45 . . . . 0.0 110.553 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -58.99 -51.08 71.6 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.556 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.89 -33.79 76.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.72 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.5 -49.37 73.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.52 -29.35 65.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.737 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.1 -40.92 95.56 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.3 mmm180 -66.02 -49.87 66.23 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.157 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.7 m -52.74 -39.16 61.87 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -82.82 -13.49 56.12 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.996 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -94.16 -36.18 12.17 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 36.4 mt-10 -93.23 -25.53 17.76 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -125.86 166.18 17.35 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.682 0.277 . . . . 0.0 110.593 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -145.34 170.22 16.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.46 -133.09 52.81 Favored Glycine 0 C--N 1.312 -0.772 0 O-C-N 123.97 0.794 . . . . 0.0 113.485 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -67.46 -29.95 69.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.073 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -63.05 -40.42 97.66 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.7 tp -66.41 -44.76 82.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.832 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -53.25 -52.65 58.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 124.163 0.914 . . . . 0.0 111.175 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 29.9 mt-10 -67.86 -41.62 82.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.02 -51.18 71.19 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -64.91 -39.67 93.88 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.765 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 56.0 tt0 -57.97 -45.05 87.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 123.046 0.538 . . . . 0.0 110.514 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 65.1 mtt180 -66.23 -36.51 83.21 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.404 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.36 -38.55 90.42 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 56.0 mt-30 -65.95 -37.82 87.0 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 33.0 mm-40 -59.13 -48.36 81.89 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.25 -42.48 81.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.634 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--O 1.203 -1.39 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.775 175.701 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 65.2 t80 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 120.677 0.275 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.32 -46.03 90.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.33 -30.81 70.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.56 82.14 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.542 0.737 . . . . 0.0 109.992 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 70.6 mt-30 -55.04 -52.76 62.17 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.8 mm-40 -52.96 -49.56 65.84 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.552 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -56.87 -51.82 67.54 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.556 0.535 . . . . 0.0 110.758 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -74.26 -32.53 62.98 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.316 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -66.19 -26.56 67.46 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 121.168 0.509 . . . . 0.0 111.073 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 23.0 mtp180 -74.96 -45.25 43.47 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -52.43 -41.06 62.93 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.395 0.435 . . . . 0.0 111.381 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 91.5 mt-30 -69.87 -13.78 62.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 0.0 112.13 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -108.32 -47.36 3.54 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.965 0.412 . . . . 0.0 110.629 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 38.3 mt-10 -82.6 -25.16 33.48 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -120.35 160.49 22.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 20.4 pt20 -148.31 164.44 34.02 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.433 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 58.5 -128.51 47.79 Favored Glycine 0 C--N 1.305 -1.143 0 O-C-N 123.966 0.791 . . . . 0.0 112.858 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -71.82 -30.43 65.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 27.6 mmm180 -60.15 -39.76 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.737 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 19.4 tp -67.2 -46.56 73.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.5 mm-40 -56.98 -46.04 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.852 0.72 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.06 -45.15 90.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.495 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.75 -55.51 22.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.201 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -59.38 -39.63 83.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.14 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 35.2 tt0 -61.31 -48.84 79.52 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.557 0.536 . . . . 0.0 110.36 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -64.32 -35.21 80.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.8 m -62.11 -42.82 99.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -66.36 -41.14 89.94 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.551 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 30.0 mm-40 -59.86 -43.79 94.5 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.202 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.19 -50.62 73.35 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.471 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.217 -0.631 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.677 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.426 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 30.5 t80 . . . . . 0 N--CA 1.439 -0.996 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -64.45 -43.1 95.32 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -59.59 -45.99 90.27 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 123.916 0.76 . . . . 0.0 109.884 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.36 -48.97 77.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.984 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 48.8 mt-30 -57.8 -51.77 68.21 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.544 0.528 . . . . 0.0 111.953 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.23 -39.11 86.19 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.36 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.93 -52.89 63.63 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.157 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.0 mt-30 -61.36 -45.39 94.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.107 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -57.96 -41.8 83.66 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.426 0.454 . . . . 0.0 111.98 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.49 -46.25 80.44 Favored 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -57.9 -38.9 76.65 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 123.394 0.434 . . . . 0.0 110.926 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 50.3 mt-30 -68.71 -23.72 64.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -96.34 -50.45 4.77 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -78.35 -26.04 46.6 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -123.51 174.45 7.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.94 -0.475 . . . . 0.0 110.421 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -160.41 166.06 29.98 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.66 -118.93 4.59 Favored Glycine 0 C--N 1.311 -0.841 0 O-C-N 125.037 1.461 . . . . 0.0 115.069 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 52.7 mt-30 -65.05 -43.9 90.82 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.716 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -63.0 -33.6 75.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.558 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 46.5 tp -65.16 -55.4 18.87 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.145 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -56.95 -36.37 70.2 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.75 0.656 . . . . 0.0 111.675 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 48.5 mt-10 -66.23 -50.49 63.61 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.256 0.551 . . . . 0.0 109.98 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.3 t -61.21 -55.64 29.82 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.277 1.031 . . . . 0.0 111.248 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -66.12 -26.01 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.568 -176.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.45 -43.83 96.27 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -62.81 -35.76 80.94 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.002 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 30' ' ' GLN . 56.0 m -59.13 -43.05 91.95 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.496 0.498 . . . . 0.0 109.915 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.26 -38.89 91.71 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -66.55 -41.93 87.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.692 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -55.99 -49.04 74.73 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 123.632 0.583 . . . . 0.0 109.569 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 112.183 -179.281 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.7 t80 . . . . . 0 N--CA 1.433 -1.314 0 CA-C-O 120.676 0.274 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HA ' HE21 ' A' ' 11' ' ' GLN . 28.0 ttpp -66.53 -40.65 89.25 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -58.58 -43.99 89.67 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 123.642 0.589 . . . . 0.0 109.63 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.1 tp -57.61 -51.36 69.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 123.485 0.491 . . . . 0.0 111.089 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.496 HE21 ' HA ' ' A' ' 8' ' ' LYS . 49.4 mt-30 -55.22 -54.3 45.12 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 123.855 0.722 . . . . 0.0 110.085 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 43.1 mt-10 -58.62 -45.35 89.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.741 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.25 -52.23 66.57 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 111.63 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.4 pt20 -68.59 -31.76 71.18 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.723 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -67.11 -39.1 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 4.4 mmp_? -66.1 -40.4 90.75 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.324 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.38 -39.2 75.57 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.3 mt-30 -68.82 -16.78 63.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -98.16 -41.87 7.71 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.889 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.28 -25.45 23.93 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -124.72 173.4 8.58 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -156.12 167.68 29.67 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 122.815 0.446 . . . . 0.0 110.006 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.74 -132.04 47.44 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 124.024 0.827 . . . . 0.0 114.275 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.945 0.498 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -68.25 -27.58 66.47 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.238 0.542 . . . . 0.0 109.791 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.39 -43.74 80.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.116 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -64.06 -40.78 97.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.96 -40.53 87.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.9 t -64.08 -50.03 69.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.509 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.01 -32.05 73.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.28 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 26.6 tt0 -60.25 -39.93 88.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -60.08 -46.26 90.19 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.9 m -60.03 -40.83 90.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.216 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -63.62 -40.25 96.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.847 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.3 mm-40 -62.65 -40.2 96.3 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.239 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -62.25 -46.0 90.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.738 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 C--N 1.305 -1.34 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.579 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.28 -51.89 67.62 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.422 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.01 -44.76 87.45 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.348 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 40.4 tp -55.36 -47.67 75.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 123.685 0.616 . . . . 0.0 111.715 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.32 -42.22 98.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.44 -49.57 77.3 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 42.0 mt-30 -67.47 -36.73 81.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.59 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -62.45 -42.09 99.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.333 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -63.85 -40.67 97.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.581 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.8 -35.77 77.31 Favored 'General case' 0 C--O 1.206 -1.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.3 mt-30 -67.39 -32.58 73.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.959 0.409 . . . . 0.0 111.032 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -77.9 -50.29 12.52 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.05 -25.49 27.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -125.6 168.46 13.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 122.033 -0.417 . . . . 0.0 111.278 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -156.35 166.02 34.64 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 123.356 0.662 . . . . 0.0 109.853 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.15 -137.82 45.7 Favored Glycine 0 C--O 1.242 0.644 0 O-C-N 123.865 0.728 . . . . 0.0 113.255 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -66.09 -33.29 75.45 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.96 0.904 . . . . 0.0 109.841 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -64.37 -31.94 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.47 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.46 -38.78 77.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.935 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.3 -43.76 98.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.51 -49.66 70.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.695 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.7 t -59.98 -51.75 68.32 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.051 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -62.75 -33.27 74.8 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 37.9 tt0 -60.46 -45.8 92.37 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 34.9 mmt180 -61.2 -34.63 75.39 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.105 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.78 -41.1 96.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.653 0.739 . . . . 0.0 109.352 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -70.94 -33.17 70.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.609 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.8 mm-40 -62.16 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 44.9 mt-10 -60.66 -47.17 87.46 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.072 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 C--N 1.318 -0.777 0 O-C-N 123.895 0.747 . . . . 0.0 111.264 177.203 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -64.17 -35.2 80.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.6 tp -58.53 -50.01 75.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.167 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 2.0 mp0 -60.55 -43.12 97.56 Favored 'General case' 0 C--O 1.211 -0.945 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.781 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 19.4 mm-40 -50.94 -54.14 26.81 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.468 0.48 . . . . 0.0 110.176 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -62.26 -53.51 54.12 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.625 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.4 pt20 -69.73 -36.13 75.59 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 29.9 mmt180 -68.48 -30.36 69.18 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.875 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 13.7 mmm180 -64.89 -46.73 80.54 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.48 -38.74 69.51 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.616 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 92.7 mt-30 -68.77 -20.66 64.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -101.15 -40.54 7.13 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.32 -25.56 27.08 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 26.0 mm-40 -125.57 159.26 32.53 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 122.209 -0.307 . . . . 0.0 110.316 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.93 155.35 49.26 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HG3' ' A' ' 27' ' ' GLN . . . 43.76 -115.99 1.34 Allowed Glycine 0 N--CA 1.47 0.919 0 O-C-N 124.523 1.14 . . . . 0.0 115.507 174.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -59.68 -44.99 93.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.941 0.897 . . . . 0.0 110.789 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 28.2 mmm180 -61.05 -39.97 91.84 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.405 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.28 -43.42 91.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.404 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 50.6 mt-30 -54.67 -52.99 60.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.81 0.694 . . . . 0.0 110.193 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 41.8 mt-10 -62.93 -46.51 87.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 124.011 0.819 . . . . 0.0 111.186 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.1 -56.33 22.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.121 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 12.1 pt20 -69.5 -28.64 66.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.77 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 23.6 tp60 -61.58 -42.52 98.97 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 98.0 mtt180 -62.7 -38.55 90.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.404 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -63.0 -40.44 97.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.91 176.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 96.6 mt-30 -66.14 -39.79 90.12 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.489 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.4 mm-40 -61.06 -41.79 97.27 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.22 -43.24 99.28 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.098 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.208 -1.081 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.744 177.208 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 66.3 t80 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 111.177 0.066 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -70.64 -32.21 69.44 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -70.21 -36.85 74.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.757 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 27.6 tp -57.61 -47.6 81.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.103 175.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.6 mt-30 -53.02 -49.24 66.66 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.997 0.811 . . . . 0.0 110.621 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.07 -47.43 82.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.972 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.98 -49.44 77.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.008 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.598 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.1 pt20 -68.2 -36.25 79.26 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.79 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -42.14 75.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 117.928 0.331 . . . . 0.0 110.406 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -64.71 -48.46 74.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.066 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.1 m -57.19 -38.67 74.0 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 96.6 mt-30 -73.54 -15.32 61.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -99.42 -48.7 4.69 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.305 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.7 -25.14 33.26 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.167 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 21.8 mm-40 -125.17 160.49 29.03 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.1 0.476 . . . . 0.0 110.338 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -151.13 162.32 41.09 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.827 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.17 -116.94 7.46 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 124.523 1.14 . . . . 0.0 114.381 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 50.7 tt0 -70.41 -38.37 74.62 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.461 0.704 . . . . 0.0 110.022 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.4 mmt180 -69.75 -27.98 65.4 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.362 0.601 . . . . 0.0 110.568 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 49.0 tp -68.3 -45.38 73.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.946 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 12.4 pt20 -63.72 -36.45 83.89 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 42.2 mt-10 -66.97 -45.7 76.92 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.79 -55.67 18.27 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.1 pt20 -66.65 -25.36 66.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.869 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.09 -38.54 91.43 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mtm105 -64.28 -35.53 81.13 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.043 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m -65.39 -32.92 74.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.602 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 45.3 mt-30 -69.41 -37.37 77.43 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.43 -52.43 65.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.237 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -41.11 70.94 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.742 0.651 . . . . 0.0 111.787 175.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.471 0.58 0 C-N-CA 123.071 0.549 . . . . 0.0 110.988 177.369 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.5 t80 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.33 -46.46 86.54 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -67.11 -40.91 86.96 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.812 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 2.0 tm? -51.0 -50.36 58.64 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.57 0.748 . . . . 0.0 110.829 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.611 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 48.9 mt-30 -57.18 -53.95 52.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 175.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.99 -41.25 82.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.34 -49.42 77.88 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.762 0.825 . . . . 0.0 110.168 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.5 pt20 -71.33 -30.74 66.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.707 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 28.5 mmm180 -62.79 -41.2 99.16 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -61.68 -45.51 93.7 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.751 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.06 -38.18 67.7 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.767 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 22.2 mt-30 -67.03 -25.33 66.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.739 0.304 . . . . 0.0 111.506 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -95.71 -48.36 5.81 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.277 0.561 . . . . 0.0 110.9 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -79.12 -25.08 43.0 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.01 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -125.47 170.46 11.39 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -155.2 164.58 38.62 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.85 -127.06 41.87 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 124.407 1.067 . . . . 0.0 113.81 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.7 tp-100 -66.26 -41.51 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.44 -40.05 71.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.555 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.2 tp -67.75 -46.95 70.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.063 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -57.82 -47.83 81.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.838 0.712 . . . . 0.0 110.454 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 49.4 mt-10 -62.2 -48.98 77.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.411 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.38 -56.04 26.96 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.248 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -64.75 -36.66 85.02 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 36.0 tt0 -68.96 -38.73 79.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -67.99 -27.62 66.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.184 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 74.0 m -66.37 -36.49 83.0 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.0 -36.73 75.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.592 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.2 mm-40 -60.87 -43.53 98.27 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 52.6 mm-40 -55.0 -56.19 22.47 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.822 175.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 t80 . . . . . 0 C--O 1.243 0.754 0 O-C-N 123.988 0.805 . . . . 0.0 112.827 -178.365 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -63.95 -52.01 61.73 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -67.33 -35.01 78.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 37.9 tp -64.67 -50.05 68.57 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.94 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.11 -46.71 88.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.462 0.477 . . . . 0.0 111.547 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.98 -42.63 99.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.919 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.6 -51.7 57.73 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.661 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 7.8 pt20 -67.42 -32.84 73.99 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.925 -0.484 . . . . 0.0 111.596 -178.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.99 -27.59 65.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 120.925 0.393 . . . . 0.0 112.052 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . 30.9 mtp180 -70.26 -45.48 66.32 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.101 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.3 m -55.41 -40.94 72.06 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.639 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.0 mt-30 -69.39 -18.7 63.79 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.062 0.458 . . . . 0.0 111.952 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -99.58 -52.8 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.47 ' OE1' ' HB3' ' A' ' 16' ' ' ARG . 39.0 mt-10 -78.43 -25.27 45.95 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.165 0.586 . . . . 0.0 112.152 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -122.3 175.02 6.63 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -163.37 170.53 17.38 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.37 -133.04 48.19 Favored Glycine 0 C--O 1.252 1.246 0 O-C-N 124.211 0.945 . . . . 0.0 113.381 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.6 tp-100 -69.54 -37.15 76.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.63 -34.68 73.1 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.916 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 24.5 tp -66.18 -45.62 80.21 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.99 -42.92 99.35 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.97 0.794 . . . . 0.0 110.334 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 43.6 mt-10 -62.99 -49.25 75.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.078 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 t -60.85 -54.05 49.9 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.503 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 10.2 pt20 -63.01 -31.88 73.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp60 -65.76 -35.28 80.28 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.56 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmm180 -67.34 -32.29 73.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 109.745 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 59.1 m -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.257 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.63 -30.48 68.21 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.102 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.3 mm-40 -61.52 -44.75 96.51 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 20.2 mm-40 -59.09 -45.59 90.44 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.608 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.217 -0.657 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.789 176.446 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.0 t80 . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.01 -48.03 83.4 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.11 -41.01 97.41 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.391 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 25.9 tp -55.97 -48.08 76.46 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.42 0.45 . . . . 0.0 111.018 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.32 -47.9 80.34 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 123.606 0.567 . . . . 0.0 110.918 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.1 mm-40 -64.1 -45.17 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -59.02 -51.96 67.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 123.548 0.53 . . . . 0.0 110.709 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.0 pt20 -64.37 -35.86 82.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.503 ' HA ' HE21 ' A' ' 18' ' ' GLN 0.269 5.7 ppt_? -71.07 -28.45 64.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.385 176.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 49.1 mtp180 -66.62 -44.59 81.64 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.61 -38.15 69.08 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.519 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.503 HE21 ' HA ' ' A' ' 15' ' ' ARG . 48.6 mt-30 -69.46 -14.14 62.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.1 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -105.47 -46.38 4.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.443 0.639 . . . . 0.0 110.489 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.61 -25.79 41.37 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -126.45 176.31 7.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.537 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 27.1 pt20 -164.69 170.22 15.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.74 -137.69 48.49 Favored Glycine 0 C--O 1.251 1.165 0 O-C-N 123.362 0.414 . . . . 0.0 112.58 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.68 -34.34 77.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 28.5 mmm180 -57.05 -41.0 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.166 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.2 tp -67.6 -44.99 76.79 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.578 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.28 -48.98 78.73 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 124.302 1.001 . . . . 0.0 110.226 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 23.3 mm-40 -57.86 -54.36 47.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 O-C-N 123.605 0.566 . . . . 0.0 110.875 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 t -55.58 -54.97 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.75 0.657 . . . . 0.0 111.792 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 9.1 pt20 -63.05 -36.78 84.72 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.845 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.7 tp-100 -64.69 -39.65 94.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 15.5 mmm180 -65.87 -40.17 91.39 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.345 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.21 -39.55 83.03 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.16 0.505 . . . . 0.0 109.768 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -65.97 -36.43 83.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.031 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -70.97 -40.31 72.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.78 -42.27 92.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.984 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.315 -0.918 0 C-N-CA 123.524 0.73 . . . . 0.0 111.383 175.37 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--O 1.238 0.47 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.38 144.28 16.13 Favored Glycine 0 N--CA 1.422 -2.239 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.9 175.29 11.37 Favored 'Trans proline' 0 C--O 1.247 0.962 0 C-N-CA 121.948 1.765 . . . . 0.0 110.257 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.51 161.38 31.12 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.4 pttm -67.46 -28.73 68.11 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.734 0.778 . . . . 0.0 109.498 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 47.0 t80 -78.01 -34.14 50.9 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 38.5 ttpt -61.65 -45.48 93.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 29.0 mmm180 -56.2 -47.57 78.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.57 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.4 tp -57.83 -47.81 81.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.596 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 50.1 mt-30 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.524 0.515 . . . . 0.0 111.211 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.56 -52.95 63.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.5 -37.08 85.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -59.71 -44.92 93.52 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 118.095 0.407 . . . . 0.0 110.583 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -61.45 -48.88 79.13 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 123.711 0.632 . . . . 0.0 110.98 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.4 m -54.14 -38.32 65.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.512 0.508 . . . . 0.0 112.251 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.8 mt-30 -69.66 -16.26 63.33 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -110.15 -35.42 6.11 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.2 0.524 . . . . 0.0 110.985 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.45 -23.28 19.2 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.36 163.7 22.0 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.75 164.77 37.74 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 122.894 0.478 . . . . 0.0 109.82 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.27 -130.15 46.52 Favored Glycine 0 C--O 1.254 1.365 0 O-C-N 123.852 0.72 . . . . 0.0 112.859 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.0 tp-100 -61.31 -44.28 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.822 0.849 . . . . 0.0 108.886 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -57.7 -35.48 70.69 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.934 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.4 tp -68.86 -50.84 46.42 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.853 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.46 -35.26 80.35 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 123.537 0.523 . . . . 0.0 111.539 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 44.1 mt-10 -73.25 -41.05 64.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.503 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.7 t -59.1 -53.85 53.7 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.44 -28.92 70.3 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.75 -39.28 76.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 47.9 mtm180 -63.47 -37.49 87.48 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.7 m -59.49 -43.34 93.32 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.253 0.549 . . . . 0.0 109.544 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.7 -36.17 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.325 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -69.66 -44.47 70.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 36.9 mt-10 -60.42 -43.23 96.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.43 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -53.23 -41.37 65.34 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 123.32 0.648 . . . . 0.0 110.845 175.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -72.87 -34.25 66.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.821 0.82 . . . . 0.0 110.074 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -74.65 -24.22 58.79 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.4 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.6 mt-10 -75.4 -24.19 57.13 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 120.952 0.406 . . . . 0.0 110.403 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -81.39 -31.66 33.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.44 72.52 2.34 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 173.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.05 109.93 0.74 Allowed 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 124.508 1.123 . . . . 0.0 112.208 -171.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -80.31 -30.7 38.2 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.311 0.577 . . . . 0.0 109.49 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.37 -59.84 2.14 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.598 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.79 101.42 2.53 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.34 -13.58 13.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.381 1.086 . . . . 0.0 110.315 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -125.46 5.57 7.63 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 . . . . . 0 N--CA 1.424 -1.748 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -174.874 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.932 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.23 63.85 4.87 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 123.971 0.795 . . . . 0.0 113.78 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.39 168.96 17.76 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.145 1.897 . . . . 0.0 109.611 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -92.73 162.67 14.04 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -70.8 -38.34 73.32 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -68.45 -28.45 67.06 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.698 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.0 t80 -72.64 -33.35 66.57 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.083 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.86 -46.4 85.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 0.0 109.899 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -61.72 -36.51 81.17 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.087 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.62 -48.1 80.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.724 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.5 mt-30 -54.94 -51.85 64.81 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 123.688 0.617 . . . . 0.0 109.733 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 19.3 mm-40 -55.16 -50.64 68.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.199 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.1 t -61.12 -47.62 85.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 43.7 mt-30 -62.96 -44.63 95.53 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.844 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -63.38 -36.64 84.37 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 80.0 mtp180 -64.33 -40.99 96.98 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.8 m -63.39 -37.52 87.6 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.757 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 23.2 mt-30 -67.03 -23.74 65.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.781 0.324 . . . . 0.0 111.142 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -85.13 -55.07 4.23 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.413 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.8 -22.77 39.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -125.17 160.41 29.22 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.737 0.78 . . . . 0.0 112.785 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -152.65 171.02 18.82 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.32 -144.14 49.03 Favored Glycine 0 C--O 1.253 1.286 0 O-C-N 123.681 0.613 . . . . 0.0 112.968 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -64.69 -34.99 79.6 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.9 0.88 . . . . 0.0 110.63 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -64.56 -34.6 78.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.426 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 23.8 tp -66.51 -42.48 87.29 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.66 -46.83 83.73 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 124.015 0.822 . . . . 0.0 109.581 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 70.7 mm-40 -63.37 -48.77 76.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.074 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.5 t -57.01 -52.63 64.5 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.044 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -69.02 -28.96 67.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.816 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.0 tt0 -64.84 -40.3 94.95 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 85.6 mtt180 -63.37 -35.45 80.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -66.0 -40.6 91.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -65.04 -39.77 93.82 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.388 177.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.1 mm-40 -58.87 -48.66 80.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.903 0.752 . . . . 0.0 109.552 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.41 -50.95 68.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 O-C-N 123.575 0.547 . . . . 0.0 110.93 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.589 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 63.5 t80 -54.12 -53.39 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.404 1.065 . . . . 0.0 111.645 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 97.9 mt-30 -56.04 -46.64 78.79 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 123.575 0.547 . . . . 0.0 110.948 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.19 -43.11 78.85 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.41 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.27 -8.01 55.48 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.639 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 37' ' ' TYR . 60.9 mtpt -67.52 -36.06 80.3 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.11 -95.9 2.42 Favored Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -127.29 110.38 12.77 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -73.51 -49.57 25.91 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -142.92 94.83 2.68 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.37 -154.88 8.87 Favored Glycine 0 N--CA 1.417 -2.604 0 C-N-CA 119.514 -1.327 . . . . 0.0 112.77 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -110.52 162.14 15.0 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -89.06 0.35 56.77 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 CA--C 1.503 -0.863 0 C-N-CA 125.433 1.493 . . . . 0.0 110.748 179.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.32 85.79 0.22 Allowed Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.28 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.52 162.46 16.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.077 1.851 . . . . 0.0 111.344 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.54 160.68 14.17 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.11 -45.23 70.73 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.974 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 40' ' ' GLU . 15.2 m -70.25 -32.66 70.6 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -77.42 -30.34 53.43 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -67.75 -47.17 70.0 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.01 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -64.82 -32.28 73.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.32 -46.77 85.15 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 47.2 mt-30 -56.13 -55.05 37.77 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.525 0.515 . . . . 0.0 110.718 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.32 -40.75 82.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.711 0.632 . . . . 0.0 111.772 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -65.24 -48.21 74.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.0 mt-30 -63.86 -44.43 93.16 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.051 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 71.0 mtt180 -56.07 -41.61 75.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.957 0.408 . . . . 0.0 111.68 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.58 -45.89 77.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.535 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.6 m -57.41 -36.8 71.8 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.885 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 37.2 mt-30 -73.83 -12.51 60.71 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.045 0.45 . . . . 0.0 111.832 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -101.16 -48.5 4.38 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.174 0.512 . . . . 0.0 110.16 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -80.48 -25.14 38.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.193 0.597 . . . . 0.0 112.593 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HG3' ' HB2' ' A' ' 29' ' ' CYS . 77.9 mm-40 -124.23 171.76 9.59 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -157.68 157.28 33.24 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.058 0.543 . . . . 0.0 109.581 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.76 -124.98 21.93 Favored Glycine 0 C--N 1.313 -0.713 0 O-C-N 124.889 1.368 . . . . 0.0 114.195 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -60.66 -39.73 89.47 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 123.737 0.815 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.96 -31.17 71.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.402 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.9 tp -67.04 -41.88 85.77 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -61.62 -37.84 85.45 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.406 0.441 . . . . 0.0 111.15 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 48.3 mt-10 -66.67 -47.9 71.04 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.927 0.394 . . . . 0.0 110.005 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 24.4 t -63.24 -52.21 63.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.712 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.9 pt20 -65.7 -28.23 68.91 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.302 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.65 -34.14 77.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 5.8 mmp_? -62.72 -43.67 98.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.6 m -60.97 -43.35 98.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.84 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.36 -42.06 90.69 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 123.636 0.585 . . . . 0.0 110.706 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 30.4 mm-40 -62.99 -48.27 79.55 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.6 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.96 -45.68 82.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -52.02 -50.0 62.27 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.808 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.96 -33.12 73.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.874 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 86.0 mtt180 -70.55 -15.61 62.79 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 6' ' ' SER . 31.3 mt-10 -86.45 -10.3 54.49 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.492 -1.283 . . . . 0.0 111.52 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -88.78 1.73 54.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.19 0.995 . . . . 0.0 108.7 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.41 -121.79 1.06 Allowed Glycine 0 N--CA 1.426 -1.986 0 N-CA-C 106.843 -2.503 . . . . 0.0 106.843 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 98.4 mt-30 -137.43 150.96 48.02 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 117.561 0.681 . . . . 0.0 109.759 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -84.1 -38.97 20.08 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -68.63 163.15 24.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.588 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 32.41 3.83 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.17 11.19 39.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.238 0.542 . . . . 0.0 110.729 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.415 ' HB ' ' OE1' ' A' ' 43' ' ' GLN . 59.9 m -145.14 -44.64 0.22 Allowed 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.775 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--N 1.307 -1.265 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.537 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.93 -155.67 19.07 Favored Glycine 0 C--N 1.317 -0.509 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -61.43 129.06 26.74 Favored 'Trans proline' 0 C--O 1.25 1.093 0 C-N-CA 122.26 1.974 . . . . 0.0 109.901 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -89.01 160.84 16.9 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.806 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.37 -46.0 68.01 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -66.98 -40.24 87.36 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.074 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -77.46 -32.14 54.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.036 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.72 -48.22 75.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -65.97 -35.5 80.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.306 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -52.71 55.44 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 122.974 0.51 . . . . 0.0 111.233 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 12.3 pt20 -61.51 -41.72 97.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.94 -39.86 83.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.671 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.2 -50.27 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.451 0.3 . . . . 0.0 110.598 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.44 -37.66 88.16 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.51 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 35.5 mmt180 -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 110.426 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.0 mtp180 -63.1 -42.63 99.63 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.767 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -57.3 -36.82 71.56 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.54 -19.41 64.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.301 0.572 . . . . 0.0 111.288 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -91.4 -47.93 7.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 7.8 mm-40 -87.11 -25.15 24.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -173.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -124.08 171.64 9.62 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.03 164.33 38.64 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.34 -129.09 42.97 Favored Glycine 0 C--O 1.246 0.851 0 O-C-N 124.747 1.28 . . . . 0.0 115.183 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -66.92 -36.65 82.73 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -64.47 -31.47 72.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.281 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.83 -43.42 83.78 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.542 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.08 -44.71 87.7 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.741 0.651 . . . . 0.0 109.81 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.91 -44.26 85.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.024 0.827 . . . . 0.0 111.233 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.38 -49.34 75.93 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 25.6 mt-30 -63.96 -33.82 76.58 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.411 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.0 tt0 -60.23 -44.84 94.87 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.484 0.714 . . . . 0.0 109.6 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -57.99 -43.85 86.83 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -60.49 -43.84 96.57 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.074 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 78.5 mt-30 -66.38 -36.05 81.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.776 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.8 mm-40 -60.74 -46.84 88.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.42 -47.26 84.51 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.261 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -56.42 -37.83 70.74 Favored 'General case' 0 C--O 1.207 -1.16 0 O-C-N 123.41 0.443 . . . . 0.0 112.044 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -69.3 -31.76 70.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.085 0.469 . . . . 0.0 111.718 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -81.96 -46.64 13.73 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 122.04 0.924 . . . . 0.0 110.337 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -97.5 19.09 13.95 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.164 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -29.34 70.09 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.641 0.734 . . . . 0.0 110.675 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.15 138.09 8.59 Favored Glycine 0 N--CA 1.409 -3.163 0 N-CA-C 106.069 -2.812 . . . . 0.0 106.069 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -78.59 83.28 4.78 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.962 0.886 . . . . 0.0 110.523 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -101.06 -38.52 8.13 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.805 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -75.38 -36.02 60.99 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.8 131.54 16.06 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.65 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -85.83 150.07 24.8 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.4 m -77.2 86.61 3.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 t30 . . . . . 0 C--N 1.311 -1.107 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.305 -178.546 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 C--O 1.246 0.869 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.23 -176.25 26.59 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.63 153.46 34.22 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 122.254 1.969 . . . . 0.0 111.713 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -79.59 150.26 31.1 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.25 -47.6 84.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 m -66.08 -24.71 66.76 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.084 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -75.45 -35.77 60.84 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.32 -40.77 86.0 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.478 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -66.23 -35.71 81.14 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.912 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.95 -46.47 89.14 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.366 0.666 . . . . 0.0 110.708 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 48.7 mt-30 -59.3 -49.14 78.97 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.462 0.476 . . . . 0.0 109.999 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mm-40 -58.5 -41.07 84.55 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.194 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 t -63.18 -46.81 85.36 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.12 -44.73 87.78 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.391 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 11' ' ' GLN 0.312 0.0 OUTLIER -63.73 -23.35 67.33 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 177.488 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 82.3 mtp180 -77.52 -45.62 24.91 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.9 m -56.0 -39.3 71.67 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.266 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 15' ' ' ARG . 3.8 pt20 -78.66 -12.29 60.01 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.875 0.369 . . . . 0.0 111.802 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 m -94.65 -45.55 7.32 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.435 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.29 -25.7 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -125.01 168.88 12.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.011 0.434 . . . . 0.0 110.576 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -152.02 169.88 21.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.15 -130.39 50.94 Favored Glycine 0 C--O 1.25 1.121 0 O-C-N 124.199 0.937 . . . . 0.0 113.435 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 56.5 tp60 -73.37 -30.73 63.49 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -60.78 -36.03 77.94 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.763 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.6 tp -66.72 -43.29 84.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.24 -48.74 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.839 0.712 . . . . 0.0 110.798 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 43.0 mt-10 -59.8 -46.27 89.73 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.678 0.611 . . . . 0.0 110.313 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -62.8 -55.84 22.8 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.418 -177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 7.3 pt20 -62.08 -33.75 75.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.98 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 44.3 tt0 -57.18 -45.65 83.53 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 123.498 0.719 . . . . 0.0 110.146 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 94.9 mtt180 -69.01 -34.73 75.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.122 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.5 m -61.61 -36.24 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.185 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.88 -36.63 83.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.173 0.511 . . . . 0.0 110.429 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 67.9 mm-40 -71.82 -41.9 67.67 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.485 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 32' ' ' ARG . 49.4 mm-40 -55.89 -50.6 70.22 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.846 0.716 . . . . 0.0 109.443 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -52.83 -49.81 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.264 1.026 . . . . 0.0 111.702 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.15 -39.84 93.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.574 0.226 . . . . 0.0 111.283 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.01 -18.58 59.22 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.41 -32.6 60.8 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.906 175.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -84.07 -42.48 16.08 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.42 -115.73 5.22 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.49 170.13 11.61 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -94.91 -6.8 41.79 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.126 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -72.8 115.71 12.42 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.94 -61.27 0.43 Allowed Glycine 0 C--N 1.3 -1.432 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.72 16.15 8.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.957 0.884 . . . . 0.0 110.503 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -19.35 65.78 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.421 173.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 . . . . . 0 N--CA 1.427 -1.614 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 CA--C 1.5 -0.97 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.02 102.86 2.3 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.59 162.21 40.35 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.125 1.884 . . . . 0.0 113.84 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.64 165.13 15.4 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.677 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -57.79 -37.37 73.61 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 125.191 1.396 . . . . 0.0 110.786 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -65.83 -36.16 82.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.389 0.614 . . . . 0.0 109.815 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -76.94 -32.09 57.1 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -62.06 -45.19 94.64 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -54.67 -42.57 71.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.608 0.567 . . . . 0.0 110.375 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.32 -48.7 80.63 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.076 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 49.0 mt-30 -61.61 -46.07 91.37 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -55.66 -47.82 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.384 0.428 . . . . 0.0 110.017 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 t -57.86 -56.08 26.56 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.9 -41.09 97.79 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.537 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 36.2 mmt180 -66.64 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.757 0.313 . . . . 0.0 111.363 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -69.21 -42.06 76.25 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.5 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.22 -40.42 77.46 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.92 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -80.11 -12.98 59.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.115 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -89.29 -47.23 8.18 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.922 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.08 -25.13 23.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.2 mm-40 -118.59 161.25 20.35 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.935 -0.478 . . . . 0.0 110.371 -176.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -150.94 172.05 16.29 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.26 50.71 Favored Glycine 0 C--O 1.254 1.373 0 O-C-N 124.087 0.867 . . . . 0.0 112.868 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -74.29 -29.71 61.76 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.6 mmt180 -62.75 -40.3 96.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 14.4 tp -64.48 -46.35 83.41 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.154 175.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.47 -44.36 80.48 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 123.897 0.748 . . . . 0.0 111.41 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.28 -39.75 86.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.7 t -67.07 -48.67 67.52 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.2 pt20 -67.65 -28.96 68.15 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.06 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -60.55 -46.31 90.64 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 20.8 mtp180 -56.87 -50.68 71.75 Favored 'General case' 0 CA--C 1.491 -1.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.522 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -52.7 -46.23 67.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.064 0.853 . . . . 0.0 110.522 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -60.42 -49.63 76.8 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.0 mm-40 -65.09 -51.83 59.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.0 111.245 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' OE1' ' HB3' ' A' ' 32' ' ' ARG . 50.9 mt-10 -64.57 -39.83 94.46 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.456 -176.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -57.39 -40.86 79.14 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.16 -25.27 64.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.406 0.622 . . . . 0.0 111.162 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -77.07 -31.96 56.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.131 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.94 31.49 6.62 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -66.82 -45.55 77.96 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 58.08 0.69 Allowed Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.746 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -77.47 151.64 34.56 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.922 0.391 . . . . 0.0 110.008 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -86.02 22.31 1.75 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.478 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -91.1 -35.71 14.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.05 166.92 22.52 Favored Glycine 0 N--CA 1.429 -1.83 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -86.61 152.65 22.41 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 116.885 0.343 . . . . 0.0 110.46 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 t -98.06 -5.89 32.94 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.423 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.239 0.535 0 CA-C-O 120.422 0.154 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.59 144.91 17.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 108.497 -1.841 . . . . 0.0 108.497 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.36 103.77 1.15 Allowed 'Trans proline' 0 CA--C 1.507 -0.853 0 C-N-CA 122.923 2.415 . . . . 0.0 115.864 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 3.6 m-20 -102.02 131.89 48.19 Favored 'General case' 0 C--N 1.264 -3.113 0 CA-C-N 113.355 -1.748 . . . . 0.0 107.799 170.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -67.22 -36.78 82.42 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.345 0.593 . . . . 0.0 111.246 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -71.06 -31.33 67.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.17 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -79.89 -29.43 39.9 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.1 mmmt -58.83 -43.8 90.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -58.63 -49.71 76.51 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.509 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.99 -49.23 78.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.573 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -52.89 -55.12 25.58 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.039 0.536 . . . . 0.0 111.105 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 25.5 mm-40 -62.95 -47.06 84.85 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.62 -49.72 75.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.548 0.53 . . . . 0.0 111.474 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 46.8 mt-30 -63.62 -43.84 95.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 121.297 -0.161 . . . . 0.0 110.907 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HA ' HE21 ' A' ' 18' ' ' GLN . 24.9 mtm180 -66.91 -35.11 79.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 10.5 mmm180 -61.72 -47.38 85.51 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -56.96 -38.51 73.08 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.108 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.3 mt-30 -68.8 -19.69 64.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 m -104.54 -38.25 6.84 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.968 0.413 . . . . 0.0 111.536 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.54 -24.73 22.83 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.1 mm-40 -125.97 165.94 17.85 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.85 166.53 33.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.05 -125.84 38.61 Favored Glycine 0 C--N 1.317 -0.495 0 O-C-N 124.063 0.852 . . . . 0.0 113.405 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.51 -27.45 66.14 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 122.912 0.485 . . . . 0.0 111.56 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 59.4 mtt180 -74.21 -31.73 62.74 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.237 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 48.1 tp -69.46 -43.41 73.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.267 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 11.3 mm100 -54.25 -53.66 50.65 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.123 0.89 . . . . 0.0 110.613 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 8.8 mm-40 -62.43 -47.67 83.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.953 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.9 t -57.45 -57.43 12.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 123.352 0.407 . . . . 0.0 112.022 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -65.36 -33.09 75.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.667 -176.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 9.0 tt0 -66.5 -36.31 82.41 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.272 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 99.7 mtt180 -64.06 -35.97 82.48 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.165 0.507 . . . . 0.0 109.859 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.3 m -64.78 -42.23 95.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.229 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 53.5 mt-30 -64.34 -36.28 83.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.269 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 34.0 mm-40 -58.15 -51.4 69.89 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.14 -43.8 82.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 41' ' ' LYS . 82.1 t80 -60.9 -45.05 96.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.276 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -62.53 -39.49 93.74 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.089 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 78.3 mtp180 -63.82 -35.21 79.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.734 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -82.97 -20.77 34.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 54.3 mtpt -69.48 -28.55 66.17 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.45 -178.19 44.17 Favored Glycine 0 N--CA 1.416 -2.671 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 13.8 mm-40 -106.49 119.86 40.39 Favored 'General case' 0 C--N 1.279 -2.494 0 O-C-N 122.544 -0.386 . . . . 0.0 110.474 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -71.54 -32.8 68.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 80.8 mt-30 -134.92 136.26 42.17 Favored 'General case' 0 N--CA 1.408 -2.539 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 171.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.55 170.94 24.75 Favored Glycine 0 C--N 1.288 -2.134 0 C-N-CA 119.857 -1.163 . . . . 0.0 111.86 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.92 104.53 6.31 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.3 t -101.81 1.9 37.69 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.637 0.732 . . . . 0.0 109.526 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 C--N 1.311 -1.104 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.097 -178.714 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 . . . . . 0 CA--C 1.5 -0.975 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.42 -140.96 27.06 Favored Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 120.222 -0.989 . . . . 0.0 110.669 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.27 -173.64 1.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 122.29 1.993 . . . . 0.0 110.424 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.86 143.88 56.6 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -60.77 -40.24 91.79 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -57.19 -37.67 72.52 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.091 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.461 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 69.9 t80 -72.47 -42.05 65.37 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.849 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 42.8 mtmt -64.63 -40.35 95.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.794 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.63 -27.35 69.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.591 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' ' NE2' ' A' ' 14' ' ' GLN . 42.6 tp -62.74 -48.3 79.82 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.88 -39.05 90.56 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.305 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 9.8 mm-40 -55.06 -51.41 66.42 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.627 0.58 . . . . 0.0 109.888 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -61.6 -47.47 85.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.653 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.545 ' NE2' ' HG ' ' A' ' 10' ' ' LEU . 46.8 mt-30 -64.09 -45.04 90.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.202 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 29.0 mmm180 -61.44 -31.06 70.99 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.372 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -69.03 -44.75 72.08 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.2 m -59.83 -37.16 78.45 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.558 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 90.6 mt-30 -68.17 -32.79 73.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 m -86.0 -47.27 9.74 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.795 0.331 . . . . 0.0 111.608 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.89 -25.54 37.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -121.31 168.06 12.06 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.53 161.65 42.03 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 122.524 0.33 . . . . 0.0 110.175 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.33 -124.61 35.25 Favored Glycine 0 N--CA 1.448 -0.551 0 O-C-N 124.327 1.017 . . . . 0.0 113.579 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.15 -33.51 71.88 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 122.926 0.491 . . . . 0.0 110.412 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.78 -33.07 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.574 0.702 . . . . 0.0 109.501 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 25.9 tp -68.67 -45.64 71.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.87 175.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 14.6 mm100 -53.72 -45.88 70.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.092 0.87 . . . . 0.0 110.749 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 36.5 mm-40 -68.12 -46.11 71.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 t -60.44 -49.83 76.0 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -63.56 -36.8 84.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.026 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.0 tt0 -57.81 -47.33 82.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.55 0.531 . . . . 0.0 109.912 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 24.6 mtm180 -61.83 -41.78 98.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.81 -38.55 91.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.206 0.527 . . . . 0.0 110.507 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.99 -32.5 74.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.181 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.27 -43.78 67.72 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.524 0.73 . . . . 0.0 111.066 175.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 70.6 t80 -56.98 -46.5 82.17 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.938 0.774 . . . . 0.0 110.976 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.85 -31.02 71.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.924 0.392 . . . . 0.0 111.312 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -71.03 -32.6 69.39 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.159 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -75.65 -31.92 60.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.289 0.566 . . . . 0.0 110.097 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 37' ' ' TYR . 32.1 mmmt -74.12 -15.25 61.05 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.92 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.54 -165.89 22.68 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -132.87 174.84 9.91 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -70.99 -35.19 72.0 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 172.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.99 112.97 3.19 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 113.667 -1.606 . . . . 0.0 107.255 171.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.88 2.69 Favored Glycine 0 C--N 1.283 -2.378 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -175.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.89 -18.5 23.68 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 121.902 0.858 . . . . 0.0 109.806 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.9 m -76.66 -66.21 0.84 Allowed 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.046 -1.433 . . . . 0.0 110.092 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.547 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 120.754 0.311 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.79 -178.05 42.93 Favored Glycine 0 N--CA 1.418 -2.555 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.98 -175.84 2.2 Favored 'Trans proline' 0 C--O 1.257 1.449 0 C-N-CA 122.686 2.258 . . . . 0.0 112.171 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.19 147.33 48.41 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.31 -28.67 65.35 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.093 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -67.49 -36.18 80.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.503 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.75 -35.2 67.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 20.8 ttpp -65.86 -41.21 91.96 Favored 'General case' 0 C--O 1.193 -1.907 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 45' ' ' GLN . 19.4 mmm180 -54.33 -46.46 72.9 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.32 0.648 . . . . 0.0 110.706 174.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.66 -45.94 90.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.654 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.67 97.62 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.659 177.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 75.9 mm-40 -55.91 -49.41 73.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.65 -49.4 77.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.6 mt-30 -64.91 -37.44 87.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.063 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.77 -43.14 98.41 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -62.79 -49.26 75.67 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.449 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.95 -38.5 73.04 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.164 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 60.2 mt-30 -77.63 -12.12 59.94 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 m -99.09 -52.19 3.61 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.394 0.616 . . . . 0.0 110.295 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.48 -13.71 42.38 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 63.2 mm-40 -125.12 155.92 39.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.76 159.05 43.03 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.58 -116.36 3.63 Favored Glycine 0 C--N 1.309 -0.962 0 O-C-N 124.661 1.225 . . . . 0.0 115.131 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -75.42 -31.51 60.41 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.243 0.617 . . . . 0.0 110.459 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -64.11 -37.66 88.24 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 21.0 tp -63.98 -41.57 97.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.822 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.35 -42.89 99.44 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.342 0.401 . . . . 0.0 111.085 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.72 -46.38 82.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.689 0.281 . . . . 0.0 110.832 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.42 ' SG ' ' HG3' ' A' ' 21' ' ' GLN . 33.8 t -59.91 -54.22 48.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.7 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -67.51 -28.48 67.86 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.679 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.83 -43.67 98.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.32 -41.34 75.84 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.619 0.574 . . . . 0.0 110.25 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.8 m -57.39 -34.42 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.539 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -64.67 -54.2 35.42 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.035 178.212 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.85 -40.81 81.0 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.04 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 36.4 mt-10 -64.05 -40.01 95.35 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.9 -32.22 65.68 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 123.377 0.671 . . . . 0.0 111.464 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -77.14 -28.43 54.22 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.898 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 2.5 ptm180 -88.37 -13.37 40.8 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.491 0.662 . . . . 0.0 110.094 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -115.05 33.42 5.43 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -64.91 -32.96 74.92 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.433 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.6 -157.52 27.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.98 78.98 9.48 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.356 1.074 . . . . 0.0 109.642 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -58.92 -37.66 77.18 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.885 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 46.3 mt-30 -104.45 13.14 32.41 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.04 -151.8 39.38 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 105.937 -2.865 . . . . 0.0 105.937 -167.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-N 118.671 1.236 . . . . 0.0 109.226 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -54.74 -37.77 66.31 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.259 1.023 . . . . 0.0 111.16 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.307 -1.239 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.909 -176.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 . . . . . 0 CA--C 1.499 -1.012 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.12 135.55 14.4 Favored Glycine 0 N--CA 1.427 -1.93 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.16 153.53 58.13 Favored 'Trans proline' 0 C--O 1.247 0.973 0 C-N-CA 122.645 2.23 . . . . 0.0 110.909 -178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -73.45 155.01 39.72 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.6 pttm -66.11 -33.23 75.31 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.467 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -64.47 -42.19 96.04 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.549 0.69 . . . . 0.0 109.52 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.6 t80 -73.38 -32.04 64.25 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.508 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 59.7 mtpt -66.51 -44.65 81.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.6 mtp180 -57.81 -42.74 84.89 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 123.696 0.623 . . . . 0.0 110.034 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 30.6 tp -57.45 -49.01 77.65 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.188 175.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 77.1 mt-30 -54.65 -54.18 44.96 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 123.965 0.79 . . . . 0.0 109.792 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 47.5 mt-10 -55.07 -48.38 73.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.032 0.833 . . . . 0.0 110.226 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -58.5 -55.15 38.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.068 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.14 -37.8 88.57 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.33 -38.91 92.71 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.425 0.155 . . . . 0.0 111.27 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 83.4 mtp180 -65.75 -42.23 91.19 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.899 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.45 -39.22 79.27 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.975 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.7 mt-30 -67.03 -21.34 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 112.02 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -87.32 -54.08 4.49 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 120.949 0.404 . . . . 0.0 110.041 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -82.1 -25.56 34.38 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -124.12 157.52 34.44 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.401 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.22 165.54 31.55 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.284 0.634 . . . . 0.0 109.548 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.9 -133.55 52.69 Favored Glycine 0 C--N 1.315 -0.623 0 O-C-N 123.926 0.766 . . . . 0.0 112.979 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.7 -34.62 74.64 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.605 0.762 . . . . 0.0 110.553 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.022 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 59.7 tp -69.4 -45.36 69.43 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.61 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.69 -55.77 15.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.61 -44.64 96.62 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.754 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 13.1 t -64.04 -52.96 56.93 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 123.631 0.582 . . . . 0.0 111.087 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -70.75 -32.18 69.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.011 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.15 -35.79 78.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 36.2 ptt180 -71.87 -29.22 64.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.851 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.73 -39.74 95.05 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.73 0.644 . . . . 0.0 109.654 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -60.53 -44.06 96.49 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.25 0.547 . . . . 0.0 109.72 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 29.2 mm-40 -64.44 -45.51 87.14 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.203 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -56.52 -42.55 78.61 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.086 0.469 . . . . 0.0 111.07 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.52 ' HH ' ' CD2' ' A' ' 44' ' ' HIS . 51.3 t80 -54.85 -52.87 61.43 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.637 175.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.21 -29.49 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.807 0.337 . . . . 0.0 111.651 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 76.5 mtp180 -73.52 -50.58 20.67 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.912 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -108.56 29.44 7.4 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 59.9 pttt -76.45 -51.52 11.63 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.91 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.24 -77.84 0.7 Allowed Glycine 0 C--O 1.248 1.012 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -90.32 164.47 14.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.52 ' CD2' ' HH ' ' A' ' 37' ' ' TYR . 37.4 t-80 -160.86 118.15 2.37 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -85.87 92.68 8.71 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.23 -87.71 0.06 OUTLIER Glycine 0 C--N 1.3 -1.471 0 C-N-CA 119.856 -1.164 . . . . 0.0 111.759 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -86.45 21.39 2.13 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.331 1.062 . . . . 0.0 110.097 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -72.66 -16.59 61.69 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 125.331 1.452 . . . . 0.0 108.75 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.305 -1.363 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.27 -156.05 40.92 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.79 143.14 29.44 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.316 2.011 . . . . 0.0 110.039 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 5.7 t70 -87.71 172.33 9.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HG2' ' OD2' ' A' ' 4' ' ' ASP . 8.0 ptpp? -58.29 -40.96 83.33 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.721 1.209 . . . . 0.0 111.489 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -67.69 -29.54 68.83 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -78.69 -33.6 46.79 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.76 -48.95 72.68 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.205 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -58.84 -39.05 80.14 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.269 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.21 -50.74 72.86 Favored 'General case' 0 C--O 1.25 1.09 0 C-N-CA 122.825 0.45 . . . . 0.0 110.553 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -58.99 -51.08 71.6 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.556 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.89 -33.79 76.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.72 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.5 -49.37 73.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.52 -29.35 65.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.737 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.1 -40.92 95.56 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.3 mmm180 -66.02 -49.87 66.23 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.157 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.7 m -52.74 -39.16 61.87 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -82.82 -13.49 56.12 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.996 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -94.16 -36.18 12.17 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 36.4 mt-10 -93.23 -25.53 17.76 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -125.86 166.18 17.35 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.682 0.277 . . . . 0.0 110.593 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -145.34 170.22 16.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.46 -133.09 52.81 Favored Glycine 0 C--N 1.312 -0.772 0 O-C-N 123.97 0.794 . . . . 0.0 113.485 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -67.46 -29.95 69.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.073 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -63.05 -40.42 97.66 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.7 tp -66.41 -44.76 82.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.832 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -53.25 -52.65 58.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 124.163 0.914 . . . . 0.0 111.175 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 29.9 mt-10 -67.86 -41.62 82.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.02 -51.18 71.19 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -64.91 -39.67 93.88 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.765 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 56.0 tt0 -57.97 -45.05 87.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 123.046 0.538 . . . . 0.0 110.514 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 65.1 mtt180 -66.23 -36.51 83.21 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.404 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.36 -38.55 90.42 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 56.0 mt-30 -65.95 -37.82 87.0 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 33.0 mm-40 -59.13 -48.36 81.89 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.25 -42.48 81.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.634 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -64.07 -41.26 97.41 Favored 'General case' 0 C--O 1.203 -1.39 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.775 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.74 -34.45 74.45 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.331 0.586 . . . . 0.0 110.352 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 92.5 mtt180 -70.74 -49.57 45.37 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.097 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.57 7.36 36.74 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -20.74 37.47 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.46 54.47 Favored Glycine 0 N--CA 1.418 -2.528 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -75.97 92.3 3.13 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -87.82 -29.04 21.26 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.03 115.71 13.82 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 115.07 6.92 Favored Glycine 0 N--CA 1.44 -1.037 0 O-C-N 123.601 0.563 . . . . 0.0 112.992 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -100.87 74.29 1.62 Allowed 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 m -91.51 -30.99 16.13 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.302 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 . . . . . 0 C--N 1.305 -1.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.772 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 . . . . . 0 CA--C 1.515 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.03 95.37 2.14 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.68 138.2 48.49 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.565 2.176 . . . . 0.0 111.792 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.95 175.49 10.51 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.428 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.1 -56.36 17.53 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -171.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -70.11 -30.82 68.12 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.196 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 65.2 t80 -66.01 -38.3 88.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.32 -46.03 90.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.33 -30.81 70.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.56 82.14 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.542 0.737 . . . . 0.0 109.992 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 70.6 mt-30 -55.04 -52.76 62.17 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.8 mm-40 -52.96 -49.56 65.84 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.552 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -56.87 -51.82 67.54 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.556 0.535 . . . . 0.0 110.758 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -74.26 -32.53 62.98 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.316 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -66.19 -26.56 67.46 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 121.168 0.509 . . . . 0.0 111.073 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 23.0 mtp180 -74.96 -45.25 43.47 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -52.43 -41.06 62.93 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.395 0.435 . . . . 0.0 111.381 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 91.5 mt-30 -69.87 -13.78 62.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 0.0 112.13 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -108.32 -47.36 3.54 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.965 0.412 . . . . 0.0 110.629 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 38.3 mt-10 -82.6 -25.16 33.48 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -120.35 160.49 22.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 20.4 pt20 -148.31 164.44 34.02 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.433 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 58.5 -128.51 47.79 Favored Glycine 0 C--N 1.305 -1.143 0 O-C-N 123.966 0.791 . . . . 0.0 112.858 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -71.82 -30.43 65.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 27.6 mmm180 -60.15 -39.76 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.737 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 19.4 tp -67.2 -46.56 73.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.5 mm-40 -56.98 -46.04 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.852 0.72 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.06 -45.15 90.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.495 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.75 -55.51 22.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.201 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -59.38 -39.63 83.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.14 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 35.2 tt0 -61.31 -48.84 79.52 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.557 0.536 . . . . 0.0 110.36 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -64.32 -35.21 80.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.8 m -62.11 -42.82 99.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -66.36 -41.14 89.94 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.551 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 30.0 mm-40 -59.86 -43.79 94.5 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.202 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 47.1 mt-10 -59.19 -50.62 73.35 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.471 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -54.5 -41.07 69.18 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -60.16 -32.93 71.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.25 0.548 . . . . 0.0 110.922 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -82.07 -30.61 31.24 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.999 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 12.6 pt-20 -112.31 26.12 10.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -11.2 41.14 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.51 1.19 Allowed Glycine 0 CA--C 1.477 -2.322 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.18 149.41 26.86 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 172.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.3 t60 73.34 -57.54 0.63 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.961 0.904 . . . . 0.0 110.346 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -118.48 90.36 3.32 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.77 -102.12 1.84 Allowed Glycine 0 C--N 1.297 -1.611 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.55 -8.21 49.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.27 0.557 . . . . 0.0 112.362 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -76.6 -17.54 59.13 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.522 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.5 -0.976 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.485 -178.333 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.82 -172.34 31.2 Favored Glycine 0 N--CA 1.435 -1.387 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -87.29 -162.84 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.888 0 C-N-CA 122.735 2.29 . . . . 0.0 112.056 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -53.7 138.97 33.84 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.069 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.89 -34.36 71.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -60.9 -39.26 88.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.941 177.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.426 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 30.5 t80 -79.69 -33.67 40.86 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.194 -176.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -64.45 -43.1 95.32 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -59.59 -45.99 90.27 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 123.916 0.76 . . . . 0.0 109.884 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.36 -48.97 77.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.984 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 48.8 mt-30 -57.8 -51.77 68.21 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.544 0.528 . . . . 0.0 111.953 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.23 -39.11 86.19 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.36 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.93 -52.89 63.63 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.157 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.0 mt-30 -61.36 -45.39 94.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.107 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -57.96 -41.8 83.66 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.426 0.454 . . . . 0.0 111.98 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.49 -46.25 80.44 Favored 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -57.9 -38.9 76.65 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 123.394 0.434 . . . . 0.0 110.926 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 50.3 mt-30 -68.71 -23.72 64.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -96.34 -50.45 4.77 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -78.35 -26.04 46.6 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -123.51 174.45 7.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.94 -0.475 . . . . 0.0 110.421 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -160.41 166.06 29.98 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.66 -118.93 4.59 Favored Glycine 0 C--N 1.311 -0.841 0 O-C-N 125.037 1.461 . . . . 0.0 115.069 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 52.7 mt-30 -65.05 -43.9 90.82 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.716 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -63.0 -33.6 75.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.558 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 46.5 tp -65.16 -55.4 18.87 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.145 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -56.95 -36.37 70.2 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.75 0.656 . . . . 0.0 111.675 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 48.5 mt-10 -66.23 -50.49 63.61 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.256 0.551 . . . . 0.0 109.98 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.3 t -61.21 -55.64 29.82 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.277 1.031 . . . . 0.0 111.248 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -66.12 -26.01 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.568 -176.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.45 -43.83 96.27 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -62.81 -35.76 80.94 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.002 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 30' ' ' GLN . 56.0 m -59.13 -43.05 91.95 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.496 0.498 . . . . 0.0 109.915 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 53.1 mt-30 -65.26 -38.89 91.71 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.808 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -66.55 -41.93 87.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.692 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -55.99 -49.04 74.73 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 123.632 0.583 . . . . 0.0 109.569 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -50.58 -51.78 45.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 112.183 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 41.3 mt-30 -63.38 -38.65 91.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.237 0.541 . . . . 0.0 110.881 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -73.7 -37.31 65.22 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -75.51 -27.13 58.64 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -58.03 -48.91 78.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.25 -69.12 1.68 Allowed Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.497 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -91.19 150.76 21.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -92.58 -12.05 32.76 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.833 0.825 . . . . 0.0 109.637 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.502 ' HB3' ' OG1' ' A' ' 48' ' ' THR . 28.3 mt-30 -82.22 149.39 27.9 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.505 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.9 86.71 1.4 Allowed Glycine 0 N--CA 1.435 -1.395 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.92 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 66.45 5.21 3.64 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 45' ' ' GLN . 5.7 p -86.17 -13.71 46.22 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.114 0.959 . . . . 0.0 109.921 176.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.424 -1.771 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -179.558 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 CA--C 1.505 -0.752 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.79 -160.69 32.55 Favored Glycine 0 N--CA 1.439 -1.139 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 175.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.14 120.65 8.63 Favored 'Trans proline' 0 CA--C 1.5 -1.209 0 C-N-CA 122.559 2.173 . . . . 0.0 110.79 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.41 165.45 23.76 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.84 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 93.7 mttt -56.3 -52.69 63.6 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 124.418 1.087 . . . . 0.0 110.365 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -65.89 -31.14 71.91 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.411 0.624 . . . . 0.0 110.564 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -78.21 -36.55 47.05 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.351 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HA ' HE21 ' A' ' 11' ' ' GLN . 28.0 ttpp -66.53 -40.65 89.25 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 46.1 mtp180 -58.58 -43.99 89.67 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 123.642 0.589 . . . . 0.0 109.63 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.1 tp -57.61 -51.36 69.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 123.485 0.491 . . . . 0.0 111.089 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.496 HE21 ' HA ' ' A' ' 8' ' ' LYS . 49.4 mt-30 -55.22 -54.3 45.12 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 123.855 0.722 . . . . 0.0 110.085 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 43.1 mt-10 -58.62 -45.35 89.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.741 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.25 -52.23 66.57 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 111.63 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.4 pt20 -68.59 -31.76 71.18 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.723 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -67.11 -39.1 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 4.4 mmp_? -66.1 -40.4 90.75 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.324 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.38 -39.2 75.57 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.3 mt-30 -68.82 -16.78 63.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -98.16 -41.87 7.71 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.889 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.28 -25.45 23.93 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -124.72 173.4 8.58 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -156.12 167.68 29.67 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 122.815 0.446 . . . . 0.0 110.006 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.74 -132.04 47.44 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 124.024 0.827 . . . . 0.0 114.275 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.945 0.498 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -68.25 -27.58 66.47 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.238 0.542 . . . . 0.0 109.791 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.39 -43.74 80.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.116 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -64.06 -40.78 97.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.96 -40.53 87.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.9 t -64.08 -50.03 69.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.509 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.01 -32.05 73.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.28 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 26.6 tt0 -60.25 -39.93 88.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -60.08 -46.26 90.19 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.9 m -60.03 -40.83 90.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.216 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 16.2 mm100 -63.62 -40.25 96.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.847 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.3 mm-40 -62.65 -40.2 96.3 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.239 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -62.25 -46.0 90.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.738 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -58.9 -37.33 76.36 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.579 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.615 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 12.4 mm100 -73.15 -29.25 62.74 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.296 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 18.0 mmm180 -70.52 -39.75 73.9 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.543 0.687 . . . . 0.0 109.249 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.45 2.52 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 62.9 pttt -85.4 -17.77 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.669 -0.812 . . . . 0.0 108.991 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.59 76.29 0.27 Allowed Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.56 75.48 7.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.883 0.849 . . . . 0.0 110.234 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.22 8.46 41.67 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.635 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -73.8 111.6 9.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.896 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.79 -1.23 48.55 Favored Glycine 0 N--CA 1.44 -1.097 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.381 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -77.14 102.18 6.46 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.959 0.409 . . . . 0.0 110.88 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -105.5 -9.51 17.43 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.959 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 . . . . . 0 C--O 1.238 0.456 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.98 143.84 19.9 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 173.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -59.31 174.33 1.07 Allowed 'Trans proline' 0 C--O 1.249 1.026 0 C-N-CA 123.457 2.771 . . . . 0.0 113.944 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.21 157.97 5.74 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.36 1.064 . . . . 0.0 111.2 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.1 ptmm? -47.99 -45.93 32.13 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.264 1.426 . . . . 0.0 112.675 -174.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' ' 40' ' ' GLU . 16.5 m -67.06 -41.2 86.87 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.946 0.403 . . . . 0.0 112.04 -176.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -78.06 -32.52 50.85 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.28 -51.89 67.62 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.422 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 50.0 mtp180 -58.01 -44.76 87.45 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.348 177.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 40.4 tp -55.36 -47.67 75.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 123.685 0.616 . . . . 0.0 111.715 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.32 -42.22 98.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.44 -49.57 77.3 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 42.0 mt-30 -67.47 -36.73 81.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.59 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -62.45 -42.09 99.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.333 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -63.85 -40.67 97.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.581 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.8 -35.77 77.31 Favored 'General case' 0 C--O 1.206 -1.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.3 mt-30 -67.39 -32.58 73.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.959 0.409 . . . . 0.0 111.032 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -77.9 -50.29 12.52 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.05 -25.49 27.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -125.6 168.46 13.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 122.033 -0.417 . . . . 0.0 111.278 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -156.35 166.02 34.64 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 123.356 0.662 . . . . 0.0 109.853 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.15 -137.82 45.7 Favored Glycine 0 C--O 1.242 0.644 0 O-C-N 123.865 0.728 . . . . 0.0 113.255 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -66.09 -33.29 75.45 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.96 0.904 . . . . 0.0 109.841 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -64.37 -31.94 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.47 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.46 -38.78 77.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.935 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.3 -43.76 98.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.51 -49.66 70.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.695 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.7 t -59.98 -51.75 68.32 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.051 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -62.75 -33.27 74.8 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 37.9 tt0 -60.46 -45.8 92.37 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 34.9 mmt180 -61.2 -34.63 75.39 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.105 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.78 -41.1 96.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.653 0.739 . . . . 0.0 109.352 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 77.7 mt-30 -70.94 -33.17 70.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.609 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.8 mm-40 -62.16 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 44.9 mt-10 -60.66 -47.17 87.46 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.072 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -55.32 -35.34 65.04 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.895 0.747 . . . . 0.0 111.264 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 78.9 mt-30 -67.64 -41.14 84.34 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.23 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -71.57 -18.03 62.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.196 0.598 . . . . 0.0 110.518 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 20.1 mm-40 -81.99 -28.37 32.66 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.208 1.003 . . . . 0.0 110.916 176.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -87.19 -48.82 7.73 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.12 90.04 1.24 Allowed Glycine 0 N--CA 1.412 -2.964 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.73 83.15 0.88 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 120.819 0.342 . . . . 0.0 110.16 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -73.59 -51.75 15.79 Favored 'General case' 0 CA--C 1.491 -1.306 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -115.97 94.64 4.75 Favored 'General case' 0 N--CA 1.405 -2.72 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.493 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.87 -168.11 15.7 Favored Glycine 0 N--CA 1.425 -2.055 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -92.04 -14.86 28.67 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.422 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -121.93 3.91 9.95 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.64 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.309 -1.182 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -177.1 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 120.829 0.347 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.87 111.28 4.11 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -76.01 163.42 33.13 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.452 2.101 . . . . 0.0 111.343 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.75 159.62 24.74 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -60.7 -42.85 98.02 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -82.36 -20.0 38.11 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 120.991 0.424 . . . . 0.0 110.357 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -75.39 -37.08 60.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -64.17 -35.2 80.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.6 tp -58.53 -50.01 75.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.167 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 2.0 mp0 -60.55 -43.12 97.56 Favored 'General case' 0 C--O 1.211 -0.945 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.781 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 19.4 mm-40 -50.94 -54.14 26.81 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.468 0.48 . . . . 0.0 110.176 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -62.26 -53.51 54.12 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.625 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.4 pt20 -69.73 -36.13 75.59 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 29.9 mmt180 -68.48 -30.36 69.18 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.875 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 13.7 mmm180 -64.89 -46.73 80.54 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.48 -38.74 69.51 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.616 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 92.7 mt-30 -68.77 -20.66 64.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -101.15 -40.54 7.13 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.32 -25.56 27.08 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 26.0 mm-40 -125.57 159.26 32.53 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 122.209 -0.307 . . . . 0.0 110.316 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.93 155.35 49.26 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HG3' ' A' ' 27' ' ' GLN . . . 43.76 -115.99 1.34 Allowed Glycine 0 N--CA 1.47 0.919 0 O-C-N 124.523 1.14 . . . . 0.0 115.507 174.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -59.68 -44.99 93.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.941 0.897 . . . . 0.0 110.789 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 28.2 mmm180 -61.05 -39.97 91.84 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.405 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.28 -43.42 91.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.404 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 50.6 mt-30 -54.67 -52.99 60.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.81 0.694 . . . . 0.0 110.193 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 41.8 mt-10 -62.93 -46.51 87.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 124.011 0.819 . . . . 0.0 111.186 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.1 -56.33 22.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.121 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 12.1 pt20 -69.5 -28.64 66.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.77 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 23.6 tp60 -61.58 -42.52 98.97 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 98.0 mtt180 -62.7 -38.55 90.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.404 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -63.0 -40.44 97.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.91 176.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 96.6 mt-30 -66.14 -39.79 90.12 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.489 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.4 mm-40 -61.06 -41.79 97.27 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' NH1' ' A' ' 39' ' ' ARG . 34.6 mt-10 -62.22 -43.24 99.28 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.098 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.5 -36.14 77.62 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.744 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 96.2 mt-30 -65.34 -34.73 79.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.752 0.31 . . . . 0.0 110.558 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' NH1' ' HG2' ' A' ' 36' ' ' GLU . 92.3 mtt180 -66.33 -48.83 69.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.219 1.009 . . . . 0.0 108.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.87 -1.53 56.64 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.361 -1.291 . . . . 0.0 114.093 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 63.3 pttt -87.54 -30.73 20.33 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.76 70.83 0.43 Allowed Glycine 0 N--CA 1.423 -2.221 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -81.51 97.08 7.63 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -93.2 74.17 4.62 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.444 0.64 . . . . 0.0 109.715 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.74 103.79 3.81 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 42.04 0.02 OUTLIER Glycine 0 C--N 1.295 -1.697 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.89 130.43 42.94 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 123.646 0.778 . . . . 0.0 110.643 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.2 p -82.57 79.43 8.99 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 121.849 0.833 . . . . 0.0 109.93 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.294 -1.81 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.734 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.43 -151.78 43.86 Favored Glycine 0 C--O 1.251 1.172 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.455 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -70.84 155.45 62.33 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.241 1.96 . . . . 0.0 111.006 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.09 151.58 30.62 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 123.513 0.725 . . . . 0.0 110.11 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.1 pttp -58.27 -38.38 76.85 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.543 0.687 . . . . 0.0 110.308 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -65.71 -40.99 92.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.63 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 66.3 t80 -78.32 -36.98 45.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.177 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -70.64 -32.21 69.44 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 75.7 mtp180 -70.21 -36.85 74.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.757 175.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 27.6 tp -57.61 -47.6 81.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.103 175.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.6 mt-30 -53.02 -49.24 66.66 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.997 0.811 . . . . 0.0 110.621 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.07 -47.43 82.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.972 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.98 -49.44 77.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.008 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.598 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.1 pt20 -68.2 -36.25 79.26 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.79 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -42.14 75.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 117.928 0.331 . . . . 0.0 110.406 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -64.71 -48.46 74.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.066 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.1 m -57.19 -38.67 74.0 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 96.6 mt-30 -73.54 -15.32 61.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -99.42 -48.7 4.69 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.305 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.7 -25.14 33.26 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.167 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 21.8 mm-40 -125.17 160.49 29.03 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.1 0.476 . . . . 0.0 110.338 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -151.13 162.32 41.09 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.827 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.17 -116.94 7.46 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 124.523 1.14 . . . . 0.0 114.381 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 50.7 tt0 -70.41 -38.37 74.62 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.461 0.704 . . . . 0.0 110.022 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.4 mmt180 -69.75 -27.98 65.4 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.362 0.601 . . . . 0.0 110.568 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 49.0 tp -68.3 -45.38 73.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.946 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 12.4 pt20 -63.72 -36.45 83.89 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 42.2 mt-10 -66.97 -45.7 76.92 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.79 -55.67 18.27 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.1 pt20 -66.65 -25.36 66.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.869 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.09 -38.54 91.43 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mtm105 -64.28 -35.53 81.13 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.043 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m -65.39 -32.92 74.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.602 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 45.3 mt-30 -69.41 -37.37 77.43 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.43 -52.43 65.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.237 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -41.11 70.94 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.742 0.651 . . . . 0.0 111.787 175.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 64.0 t80 -55.85 -48.73 74.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.071 0.549 . . . . 0.0 110.988 177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.83 -31.86 68.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -69.38 -33.1 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.453 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -77.96 -23.66 48.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.386 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 37' ' ' TYR . 53.8 mtpt -82.58 -50.92 8.27 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.611 177.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.11 156.21 7.23 Favored Glycine 0 N--CA 1.429 -1.825 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -76.11 95.62 3.69 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 123.397 0.679 . . . . 0.0 109.997 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.3 m80 43.4 62.76 1.76 Allowed 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.735 1.214 . . . . 0.0 112.763 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -127.43 163.69 23.52 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.903 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.86 163.69 26.91 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 67.22 16.25 10.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.797 1.239 . . . . 0.0 112.498 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 t -127.91 76.79 1.71 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.783 1.277 . . . . 0.0 107.683 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 C--N 1.294 -1.839 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.635 -174.326 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.69 151.94 20.33 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.0 151.84 83.54 Favored 'Trans proline' 0 C--O 1.255 1.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.664 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -71.31 151.83 43.81 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -68.15 -28.15 67.04 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.503 0.668 . . . . 0.0 110.2 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -68.29 -27.74 66.58 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.347 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -77.38 -32.02 54.64 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.33 -46.46 86.54 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -67.11 -40.91 86.96 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.812 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 2.0 tm? -51.0 -50.36 58.64 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.57 0.748 . . . . 0.0 110.829 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.611 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 48.9 mt-30 -57.18 -53.95 52.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 175.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.99 -41.25 82.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.34 -49.42 77.88 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.762 0.825 . . . . 0.0 110.168 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.5 pt20 -71.33 -30.74 66.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.707 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 28.5 mmm180 -62.79 -41.2 99.16 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -61.68 -45.51 93.7 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.751 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.06 -38.18 67.7 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.767 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 22.2 mt-30 -67.03 -25.33 66.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.739 0.304 . . . . 0.0 111.506 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -95.71 -48.36 5.81 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.277 0.561 . . . . 0.0 110.9 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -79.12 -25.08 43.0 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.01 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -125.47 170.46 11.39 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -155.2 164.58 38.62 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.85 -127.06 41.87 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 124.407 1.067 . . . . 0.0 113.81 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.7 tp-100 -66.26 -41.51 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.44 -40.05 71.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.555 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.2 tp -67.75 -46.95 70.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.063 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -57.82 -47.83 81.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.838 0.712 . . . . 0.0 110.454 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 49.4 mt-10 -62.2 -48.98 77.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.411 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.38 -56.04 26.96 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.248 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -64.75 -36.66 85.02 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 36.0 tt0 -68.96 -38.73 79.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -67.99 -27.62 66.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.184 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 74.0 m -66.37 -36.49 83.0 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.0 -36.73 75.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.592 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.2 mm-40 -60.87 -43.53 98.27 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 52.6 mm-40 -55.0 -56.19 22.47 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.822 175.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -52.06 -45.16 64.61 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 123.988 0.805 . . . . 0.0 112.827 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.03 -35.09 77.68 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.416 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -79.83 -22.13 43.36 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.9 mm-40 -74.68 -31.9 62.05 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -86.98 -35.33 18.9 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.461 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.77 145.36 14.7 Favored Glycine 0 N--CA 1.427 -1.908 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.682 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -104.58 97.49 7.39 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -122.39 -17.47 7.05 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.575 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -94.1 131.16 39.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.321 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.07 67.24 3.03 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -109.35 7.22 24.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.774 0.797 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.1 t -149.55 21.73 0.92 Allowed 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.644 -1.162 . . . . 0.0 107.904 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.544 -177.803 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 . . . . . 0 C--O 1.239 0.508 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.38 152.34 24.3 Favored Glycine 0 N--CA 1.428 -1.872 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.59 162.15 36.03 Favored 'Trans proline' 0 C--O 1.247 0.942 0 C-N-CA 122.038 1.825 . . . . 0.0 111.036 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.19 167.64 21.53 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -46.99 -47.43 21.98 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 125.941 1.696 . . . . 0.0 108.224 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.614 ' OG ' ' HA ' ' A' ' 41' ' ' LYS . 3.2 m -62.81 -47.08 85.01 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 113.193 -1.821 . . . . 0.0 112.072 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -76.5 -28.08 56.29 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.827 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -63.95 -52.01 61.73 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.453 HH12 ' CD ' ' A' ' 40' ' ' GLU . 16.2 ptm180 -67.33 -35.01 78.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.877 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 37.9 tp -64.67 -50.05 68.57 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.94 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.11 -46.71 88.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.462 0.477 . . . . 0.0 111.547 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.98 -42.63 99.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.919 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.6 -51.7 57.73 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.661 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 7.8 pt20 -67.42 -32.84 73.99 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.925 -0.484 . . . . 0.0 111.596 -178.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.99 -27.59 65.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 120.925 0.393 . . . . 0.0 112.052 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . 30.9 mtp180 -70.26 -45.48 66.32 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.101 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.3 m -55.41 -40.94 72.06 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.639 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.0 mt-30 -69.39 -18.7 63.79 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.062 0.458 . . . . 0.0 111.952 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -99.58 -52.8 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.47 ' OE1' ' HB3' ' A' ' 16' ' ' ARG . 39.0 mt-10 -78.43 -25.27 45.95 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.165 0.586 . . . . 0.0 112.152 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -122.3 175.02 6.63 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -163.37 170.53 17.38 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.37 -133.04 48.19 Favored Glycine 0 C--O 1.252 1.246 0 O-C-N 124.211 0.945 . . . . 0.0 113.381 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.6 tp-100 -69.54 -37.15 76.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.63 -34.68 73.1 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.916 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 24.5 tp -66.18 -45.62 80.21 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.99 -42.92 99.35 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.97 0.794 . . . . 0.0 110.334 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 43.6 mt-10 -62.99 -49.25 75.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.078 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 t -60.85 -54.05 49.9 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.503 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 10.2 pt20 -63.01 -31.88 73.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp60 -65.76 -35.28 80.28 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.56 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmm180 -67.34 -32.29 73.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 109.745 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 59.1 m -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.257 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.63 -30.48 68.21 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.102 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.3 mm-40 -61.52 -44.75 96.51 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 20.2 mm-40 -59.09 -45.59 90.44 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.608 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -54.73 -53.63 52.51 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.789 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 14.3 mm-40 -68.94 -41.71 77.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' HG3' ' A' ' 40' ' ' GLU . 14.3 ptm180 -61.78 -51.22 69.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' CD ' HH12 ' A' ' 9' ' ' ARG . 45.0 mt-10 -106.59 26.93 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -172.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 61.6 pttt -71.51 -35.57 70.79 Favored 'General case' 0 C--O 1.25 1.089 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.69 -65.25 0.76 Allowed Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.14 151.8 26.79 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -70.78 -32.23 69.27 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -90.27 -6.76 54.8 Favored 'General case' 0 C--O 1.25 1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.13 -147.35 50.88 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.471 -174.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.63 73.67 8.55 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.846 0.831 . . . . 0.0 108.977 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 t -77.71 80.94 4.16 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.913 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.236 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.78 107.23 0.21 Allowed Glycine 0 N--CA 1.425 -2.077 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.72 -175.98 2.84 Favored 'Trans proline' 0 N--CA 1.443 -1.481 0 C-N-CA 121.757 1.638 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -89.0 132.86 34.54 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -62.4 -35.44 79.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.646 . . . . 0.0 109.932 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.56 ' OG ' ' HA ' ' A' ' 41' ' ' LYS . 2.8 m -73.67 -34.3 64.84 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.71 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -76.16 -32.13 58.92 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.01 -48.03 83.4 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.11 -41.01 97.41 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.391 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 25.9 tp -55.97 -48.08 76.46 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.42 0.45 . . . . 0.0 111.018 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.32 -47.9 80.34 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 123.606 0.567 . . . . 0.0 110.918 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.1 mm-40 -64.1 -45.17 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -59.02 -51.96 67.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 123.548 0.53 . . . . 0.0 110.709 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.0 pt20 -64.37 -35.86 82.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.503 ' HA ' HE21 ' A' ' 18' ' ' GLN 0.269 5.7 ppt_? -71.07 -28.45 64.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.385 176.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 49.1 mtp180 -66.62 -44.59 81.64 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.61 -38.15 69.08 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.519 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.503 HE21 ' HA ' ' A' ' 15' ' ' ARG . 48.6 mt-30 -69.46 -14.14 62.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.1 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -105.47 -46.38 4.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.443 0.639 . . . . 0.0 110.489 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.61 -25.79 41.37 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -126.45 176.31 7.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.537 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 27.1 pt20 -164.69 170.22 15.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.74 -137.69 48.49 Favored Glycine 0 C--O 1.251 1.165 0 O-C-N 123.362 0.414 . . . . 0.0 112.58 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.68 -34.34 77.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 28.5 mmm180 -57.05 -41.0 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.166 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.2 tp -67.6 -44.99 76.79 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.578 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.28 -48.98 78.73 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 124.302 1.001 . . . . 0.0 110.226 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 23.3 mm-40 -57.86 -54.36 47.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 O-C-N 123.605 0.566 . . . . 0.0 110.875 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 t -55.58 -54.97 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.75 0.657 . . . . 0.0 111.792 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 9.1 pt20 -63.05 -36.78 84.72 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.845 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.7 tp-100 -64.69 -39.65 94.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 15.5 mmm180 -65.87 -40.17 91.39 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.345 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.21 -39.55 83.03 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.16 0.505 . . . . 0.0 109.768 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -65.97 -36.43 83.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.031 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -70.97 -40.31 72.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.78 -42.27 92.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.984 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -51.59 -42.45 61.92 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 123.524 0.73 . . . . 0.0 111.383 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 49.7 mt-30 -71.54 -22.13 61.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.533 0.682 . . . . 0.0 110.665 -178.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -86.66 -54.02 4.62 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.771 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -88.88 16.05 7.51 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 23.1 pttp -71.49 -30.57 66.12 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.093 0.473 . . . . 0.0 110.959 178.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.35 -77.34 0.61 Allowed Glycine 0 N--CA 1.423 -2.211 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -119.1 134.53 55.15 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -61.26 -54.41 44.48 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -171.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -78.01 -22.84 48.67 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 119.29 2.67 Favored Glycine 0 N--CA 1.425 -2.067 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.11 136.82 39.85 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -101.09 0.02 37.11 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.3 m120 . . . . . 0 C--N 1.314 -0.961 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.36 177.768 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.0 t80 . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.65 -45.48 93.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -56.2 -47.57 78.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.4 tp -57.83 -47.81 81.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.596 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.524 0.515 . . . . 0.0 111.211 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.56 -52.95 63.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.5 -37.08 85.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -59.71 -44.92 93.52 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 118.095 0.407 . . . . 0.0 110.583 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -61.45 -48.88 79.13 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 123.711 0.632 . . . . 0.0 110.98 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.4 m -54.14 -38.32 65.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.512 0.508 . . . . 0.0 112.251 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.6 mt-30 -69.66 -16.26 63.33 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -110.15 -35.42 6.11 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.2 0.524 . . . . 0.0 110.985 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.45 -23.28 19.2 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.36 163.7 22.0 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.75 164.77 37.74 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 122.894 0.478 . . . . 0.0 109.82 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.27 -130.15 46.52 Favored Glycine 0 C--O 1.254 1.365 0 O-C-N 123.852 0.72 . . . . 0.0 112.859 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.0 tp-100 -61.31 -44.28 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.822 0.849 . . . . 0.0 108.886 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 21.5 mmm180 -57.7 -35.48 70.69 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.934 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.4 tp -68.86 -50.84 46.42 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.853 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -64.46 -35.26 80.35 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 123.537 0.523 . . . . 0.0 111.539 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 44.1 mt-10 -73.25 -41.05 64.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.503 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 32.7 t -59.1 -53.85 53.7 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.44 -28.92 70.3 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.75 -39.28 76.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 47.9 mtm180 -63.47 -37.49 87.48 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.7 m -59.49 -43.34 93.32 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.253 0.549 . . . . 0.0 109.544 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.7 -36.17 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.325 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -69.66 -44.47 70.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.42 -43.23 96.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.43 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 123.32 0.648 . . . . 0.0 110.845 175.23 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.602 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.0 t80 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.86 -46.4 85.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 0.0 109.899 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -61.72 -36.51 81.17 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.087 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.62 -48.1 80.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.724 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.5 mt-30 -54.94 -51.85 64.81 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 123.688 0.617 . . . . 0.0 109.733 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 19.3 mm-40 -55.16 -50.64 68.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.199 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.1 t -61.12 -47.62 85.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.628 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 50.8 mt-30 -62.96 -44.63 95.53 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.844 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -63.38 -36.64 84.37 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 80.0 mtp180 -64.33 -40.99 96.98 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.8 m -63.39 -37.52 87.6 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.757 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 73.5 mt-30 -67.03 -23.74 65.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.781 0.324 . . . . 0.0 111.142 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -85.13 -55.07 4.23 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.413 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.8 -22.77 39.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -125.17 160.41 29.22 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.737 0.78 . . . . 0.0 112.785 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -152.65 171.02 18.82 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.32 -144.14 49.03 Favored Glycine 0 C--O 1.253 1.286 0 O-C-N 123.681 0.613 . . . . 0.0 112.968 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -64.69 -34.99 79.6 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.9 0.88 . . . . 0.0 110.63 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -64.56 -34.6 78.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.426 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 23.8 tp -66.51 -42.48 87.29 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.66 -46.83 83.73 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 124.015 0.822 . . . . 0.0 109.581 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 70.7 mm-40 -63.37 -48.77 76.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.074 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.5 t -57.01 -52.63 64.5 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.044 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.8 pt20 -69.02 -28.96 67.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.816 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.0 tt0 -64.84 -40.3 94.95 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 85.6 mtt180 -63.37 -35.45 80.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -66.0 -40.6 91.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.04 -39.77 93.82 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.388 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.1 mm-40 -58.87 -48.66 80.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.903 0.752 . . . . 0.0 109.552 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.41 -50.95 68.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 O-C-N 123.575 0.547 . . . . 0.0 110.93 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.5 t80 . . . . . 0 C--N 1.33 -0.278 0 O-C-N 124.404 1.065 . . . . 0.0 111.645 179.404 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -67.75 -47.17 70.0 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.01 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -64.82 -32.28 73.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.32 -46.77 85.15 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 49.9 mt-30 -56.13 -55.05 37.77 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.525 0.515 . . . . 0.0 110.718 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.32 -40.75 82.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.711 0.632 . . . . 0.0 111.772 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -65.24 -48.21 74.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 56.3 mt-30 -63.86 -44.43 93.16 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.051 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 71.0 mtt180 -56.07 -41.61 75.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.957 0.408 . . . . 0.0 111.68 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.58 -45.89 77.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.535 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.6 m -57.41 -36.8 71.8 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.885 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 37.2 mt-30 -73.83 -12.51 60.71 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.045 0.45 . . . . 0.0 111.832 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -101.16 -48.5 4.38 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.174 0.512 . . . . 0.0 110.16 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -80.48 -25.14 38.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.193 0.597 . . . . 0.0 112.593 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' HG3' ' HB2' ' A' ' 29' ' ' CYS . 77.9 mm-40 -124.23 171.76 9.59 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -157.68 157.28 33.24 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.058 0.543 . . . . 0.0 109.581 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.76 -124.98 21.93 Favored Glycine 0 C--N 1.313 -0.713 0 O-C-N 124.889 1.368 . . . . 0.0 114.195 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -60.66 -39.73 89.47 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 123.737 0.815 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.96 -31.17 71.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.402 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.9 tp -67.04 -41.88 85.77 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.62 -37.84 85.45 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.406 0.441 . . . . 0.0 111.15 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 48.3 mt-10 -66.67 -47.9 71.04 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.927 0.394 . . . . 0.0 110.005 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 24.4 t -63.24 -52.21 63.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.712 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.1 pt20 -65.7 -28.23 68.91 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.302 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.65 -34.14 77.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 5.8 mmp_? -62.72 -43.67 98.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.6 m -60.97 -43.35 98.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.84 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.36 -42.06 90.69 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 123.636 0.585 . . . . 0.0 110.706 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -62.99 -48.27 79.55 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.6 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.96 -45.68 82.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.7 t80 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.808 175.037 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.445 -0.685 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.72 -48.22 75.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -65.97 -35.5 80.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.306 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -52.71 55.44 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 122.974 0.51 . . . . 0.0 111.233 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 12.3 pt20 -61.51 -41.72 97.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.94 -39.86 83.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.671 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.2 -50.27 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.451 0.3 . . . . 0.0 110.598 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.44 -37.66 88.16 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.51 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 35.5 mmt180 -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 110.426 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.0 mtp180 -63.1 -42.63 99.63 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.767 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -57.3 -36.82 71.56 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.54 -19.41 64.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.301 0.572 . . . . 0.0 111.288 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -91.4 -47.93 7.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 7.8 mm-40 -87.11 -25.15 24.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -173.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -124.08 171.64 9.62 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.03 164.33 38.64 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.34 -129.09 42.97 Favored Glycine 0 C--O 1.246 0.851 0 O-C-N 124.747 1.28 . . . . 0.0 115.183 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -66.92 -36.65 82.73 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -64.47 -31.47 72.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.281 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.83 -43.42 83.78 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.542 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.08 -44.71 87.7 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.741 0.651 . . . . 0.0 109.81 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.91 -44.26 85.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.024 0.827 . . . . 0.0 111.233 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.38 -49.34 75.93 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 94.6 mt-30 -63.96 -33.82 76.58 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.411 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.0 tt0 -60.23 -44.84 94.87 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.484 0.714 . . . . 0.0 109.6 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -57.99 -43.85 86.83 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -60.49 -43.84 96.57 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.074 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 78.5 mt-30 -66.38 -36.05 81.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.776 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.8 mm-40 -60.74 -46.84 88.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.42 -47.26 84.51 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.261 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 C--O 1.207 -1.16 0 O-C-N 123.41 0.443 . . . . 0.0 112.044 179.207 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 t80 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.32 -40.77 86.0 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.478 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -66.23 -35.71 81.14 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.912 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.95 -46.47 89.14 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.366 0.666 . . . . 0.0 110.708 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.3 mt-30 -59.3 -49.14 78.97 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.462 0.476 . . . . 0.0 109.999 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mm-40 -58.5 -41.07 84.55 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.194 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 t -63.18 -46.81 85.36 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.12 -44.73 87.78 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.391 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' GLN 0.312 0.0 OUTLIER -63.73 -23.35 67.33 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 177.488 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 82.3 mtp180 -77.52 -45.62 24.91 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.9 m -56.0 -39.3 71.67 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.266 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 15' ' ' ARG . 13.7 pt20 -78.66 -12.29 60.01 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.875 0.369 . . . . 0.0 111.802 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 m -94.65 -45.55 7.32 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.435 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.29 -25.7 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -125.01 168.88 12.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.011 0.434 . . . . 0.0 110.576 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -152.02 169.88 21.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.15 -130.39 50.94 Favored Glycine 0 C--O 1.25 1.121 0 O-C-N 124.199 0.937 . . . . 0.0 113.435 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 56.5 tp60 -73.37 -30.73 63.49 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -60.78 -36.03 77.94 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.763 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.6 tp -66.72 -43.29 84.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -58.24 -48.74 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.839 0.712 . . . . 0.0 110.798 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 43.0 mt-10 -59.8 -46.27 89.73 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.678 0.611 . . . . 0.0 110.313 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -62.8 -55.84 22.8 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.418 -177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 7.3 pt20 -62.08 -33.75 75.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.98 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 44.3 tt0 -57.18 -45.65 83.53 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 123.498 0.719 . . . . 0.0 110.146 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 94.9 mtt180 -69.01 -34.73 75.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.122 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.5 m -61.61 -36.24 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.185 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.88 -36.63 83.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.173 0.511 . . . . 0.0 110.429 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 67.9 mm-40 -71.82 -41.9 67.67 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.485 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 32' ' ' ARG . 49.4 mm-40 -55.89 -50.6 70.22 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.846 0.716 . . . . 0.0 109.443 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--N 1.324 -0.537 0 C-N-CA 124.264 1.026 . . . . 0.0 111.702 175.749 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 73.1 mmtt -62.06 -45.19 94.64 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -54.67 -42.57 71.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.608 0.567 . . . . 0.0 110.375 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.32 -48.7 80.63 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.076 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 49.0 mt-30 -61.61 -46.07 91.37 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 35.1 mm-40 -55.66 -47.82 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.384 0.428 . . . . 0.0 110.017 175.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 t -57.86 -56.08 26.56 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.9 -41.09 97.79 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.537 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 36.2 mmt180 -66.64 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.757 0.313 . . . . 0.0 111.363 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -69.21 -42.06 76.25 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.5 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.22 -40.42 77.46 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.92 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.1 pt20 -80.11 -12.98 59.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.115 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -89.29 -47.23 8.18 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.922 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.08 -25.13 23.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.2 mm-40 -118.59 161.25 20.35 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.935 -0.478 . . . . 0.0 110.371 -176.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -150.94 172.05 16.29 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.26 50.71 Favored Glycine 0 C--O 1.254 1.373 0 O-C-N 124.087 0.867 . . . . 0.0 112.868 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -74.29 -29.71 61.76 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.6 mmt180 -62.75 -40.3 96.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 14.4 tp -64.48 -46.35 83.41 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.154 175.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.47 -44.36 80.48 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 123.897 0.748 . . . . 0.0 111.41 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.28 -39.75 86.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.7 t -67.07 -48.67 67.52 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.2 pt20 -67.65 -28.96 68.15 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.06 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -60.55 -46.31 90.64 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 20.8 mtp180 -56.87 -50.68 71.75 Favored 'General case' 0 CA--C 1.491 -1.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.522 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -52.7 -46.23 67.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.064 0.853 . . . . 0.0 110.522 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.42 -49.63 76.8 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.0 mm-40 -65.09 -51.83 59.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.0 111.245 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 32' ' ' ARG . 50.9 mt-10 -64.57 -39.83 94.46 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.456 -176.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 t80 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 172.519 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.6 t80 . . . . . 0 N--CA 1.44 -0.972 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -58.83 -43.8 90.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -58.63 -49.71 76.51 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.509 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.99 -49.23 78.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.573 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -52.89 -55.12 25.58 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.039 0.536 . . . . 0.0 111.105 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 25.5 mm-40 -62.95 -47.06 84.85 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.62 -49.72 75.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.548 0.53 . . . . 0.0 111.474 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 57.6 mt-30 -63.62 -43.84 95.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 121.297 -0.161 . . . . 0.0 110.907 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -66.91 -35.11 79.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 10.5 mmm180 -61.72 -47.38 85.51 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -56.96 -38.51 73.08 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.108 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.9 mt-30 -68.8 -19.69 64.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 m -104.54 -38.25 6.84 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.968 0.413 . . . . 0.0 111.536 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.54 -24.73 22.83 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.1 mm-40 -125.97 165.94 17.85 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.85 166.53 33.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.05 -125.84 38.61 Favored Glycine 0 C--N 1.317 -0.495 0 O-C-N 124.063 0.852 . . . . 0.0 113.405 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.51 -27.45 66.14 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 122.912 0.485 . . . . 0.0 111.56 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 59.4 mtt180 -74.21 -31.73 62.74 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.237 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 48.1 tp -69.46 -43.41 73.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.267 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 11.3 mm100 -54.25 -53.66 50.65 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.123 0.89 . . . . 0.0 110.613 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 8.8 mm-40 -62.43 -47.67 83.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.953 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.9 t -57.45 -57.43 12.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 123.352 0.407 . . . . 0.0 112.022 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 pt20 -65.36 -33.09 75.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.667 -176.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 53.1 tt0 -66.5 -36.31 82.41 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.272 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 99.7 mtt180 -64.06 -35.97 82.48 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.165 0.507 . . . . 0.0 109.859 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.3 m -64.78 -42.23 95.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.229 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 53.5 mt-30 -64.34 -36.28 83.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.269 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 34.0 mm-40 -58.15 -51.4 69.89 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.14 -43.8 82.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 C--N 1.318 -0.782 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.276 179.172 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 69.9 t80 . . . . . 0 N--CA 1.435 -1.197 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 42.8 mtmt -64.63 -40.35 95.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.794 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.63 -27.35 69.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.591 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' TYR . 42.6 tp -62.74 -48.3 79.82 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -61.88 -39.05 90.56 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.305 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 9.8 mm-40 -55.06 -51.41 66.42 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.627 0.58 . . . . 0.0 109.888 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -61.6 -47.47 85.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.653 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 59.6 mt-30 -64.09 -45.04 90.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.202 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 29.0 mmm180 -61.44 -31.06 70.99 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.372 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -69.03 -44.75 72.08 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.2 m -59.83 -37.16 78.45 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.558 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 90.6 mt-30 -68.17 -32.79 73.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 m -86.0 -47.27 9.74 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.795 0.331 . . . . 0.0 111.608 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.89 -25.54 37.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -121.31 168.06 12.06 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.53 161.65 42.03 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 122.524 0.33 . . . . 0.0 110.175 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.33 -124.61 35.25 Favored Glycine 0 N--CA 1.448 -0.551 0 O-C-N 124.327 1.017 . . . . 0.0 113.579 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.15 -33.51 71.88 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 122.926 0.491 . . . . 0.0 110.412 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.78 -33.07 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.574 0.702 . . . . 0.0 109.501 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 25.9 tp -68.67 -45.64 71.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.87 175.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 14.6 mm100 -53.72 -45.88 70.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.092 0.87 . . . . 0.0 110.749 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 36.5 mm-40 -68.12 -46.11 71.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 t -60.44 -49.83 76.0 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.6 pt20 -63.56 -36.8 84.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.026 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.0 tt0 -57.81 -47.33 82.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.55 0.531 . . . . 0.0 109.912 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 24.6 mtm180 -61.83 -41.78 98.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.81 -38.55 91.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.206 0.527 . . . . 0.0 110.507 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.99 -32.5 74.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.181 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.27 -43.78 67.72 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.524 0.73 . . . . 0.0 111.066 175.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 . . . . . 0 C--N 1.322 -0.596 0 O-C-N 123.938 0.774 . . . . 0.0 110.976 176.516 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 . . . . . 0 CA--C 1.508 -0.668 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 20.8 ttpp -65.86 -41.21 91.96 Favored 'General case' 0 C--O 1.193 -1.907 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -54.33 -46.46 72.9 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.32 0.648 . . . . 0.0 110.706 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.66 -45.94 90.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.654 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -63.54 -40.67 97.62 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.659 177.581 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 75.9 mm-40 -55.91 -49.41 73.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.65 -49.4 77.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 55.7 mt-30 -64.91 -37.44 87.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.063 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.8 mmp_? -60.77 -43.14 98.41 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -62.79 -49.26 75.67 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.449 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.95 -38.5 73.04 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.164 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 60.2 mt-30 -77.63 -12.12 59.94 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 m -99.09 -52.19 3.61 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.394 0.616 . . . . 0.0 110.295 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.48 -13.71 42.38 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 63.2 mm-40 -125.12 155.92 39.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.76 159.05 43.03 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.58 -116.36 3.63 Favored Glycine 0 C--N 1.309 -0.962 0 O-C-N 124.661 1.225 . . . . 0.0 115.131 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -75.42 -31.51 60.41 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.243 0.617 . . . . 0.0 110.459 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -64.11 -37.66 88.24 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.98 -41.57 97.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.822 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.35 -42.89 99.44 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.342 0.401 . . . . 0.0 111.085 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.72 -46.38 82.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.689 0.281 . . . . 0.0 110.832 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HG3' ' A' ' 21' ' ' GLN . 33.8 t -59.91 -54.22 48.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.7 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.51 -28.48 67.86 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.83 -43.67 98.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.32 -41.34 75.84 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.619 0.574 . . . . 0.0 110.25 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.8 m -57.39 -34.42 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -64.67 -54.2 35.42 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.035 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.85 -40.81 81.0 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.04 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.05 -40.01 95.35 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--N 1.298 -1.652 0 C-N-CA 123.377 0.671 . . . . 0.0 111.464 175.867 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.593 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.6 t80 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 59.7 mtpt -66.51 -44.65 81.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -57.81 -42.74 84.89 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 123.696 0.623 . . . . 0.0 110.034 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 30.6 tp -57.45 -49.01 77.65 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.188 175.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 77.1 mt-30 -54.65 -54.18 44.96 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 123.965 0.79 . . . . 0.0 109.792 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 47.5 mt-10 -55.07 -48.38 73.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.032 0.833 . . . . 0.0 110.226 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -58.5 -55.15 38.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.068 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 14.6 pt20 -65.14 -37.8 88.57 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.33 -38.91 92.71 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.425 0.155 . . . . 0.0 111.27 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 83.4 mtp180 -65.75 -42.23 91.19 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.899 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.45 -39.22 79.27 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.975 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.7 mt-30 -67.03 -21.34 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 112.02 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -87.32 -54.08 4.49 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 120.949 0.404 . . . . 0.0 110.041 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -82.1 -25.56 34.38 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -124.12 157.52 34.44 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.401 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 13.2 pt20 -149.22 165.54 31.55 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.284 0.634 . . . . 0.0 109.548 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.9 -133.55 52.69 Favored Glycine 0 C--N 1.315 -0.623 0 O-C-N 123.926 0.766 . . . . 0.0 112.979 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.7 -34.62 74.64 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.605 0.762 . . . . 0.0 110.553 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.022 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 59.7 tp -69.4 -45.36 69.43 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.61 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -50.69 -55.77 15.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.61 -44.64 96.62 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.754 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 13.1 t -64.04 -52.96 56.93 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 123.631 0.582 . . . . 0.0 111.087 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.3 pt20 -70.75 -32.18 69.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.011 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.15 -35.79 78.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 36.2 ptt180 -71.87 -29.22 64.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.851 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.73 -39.74 95.05 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.73 0.644 . . . . 0.0 109.654 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -60.53 -44.06 96.49 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.25 0.547 . . . . 0.0 109.72 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.44 -45.51 87.14 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.203 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -56.52 -42.55 78.61 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.086 0.469 . . . . 0.0 111.07 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 t80 . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.637 175.411 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.3 t80 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.76 -48.95 72.68 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.205 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -58.84 -39.05 80.14 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.269 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.21 -50.74 72.86 Favored 'General case' 0 C--O 1.25 1.09 0 C-N-CA 122.825 0.45 . . . . 0.0 110.553 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -58.99 -51.08 71.6 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.556 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.89 -33.79 76.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.72 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.5 -49.37 73.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.52 -29.35 65.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.737 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.1 -40.92 95.56 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.3 mmm180 -66.02 -49.87 66.23 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.157 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.7 m -52.74 -39.16 61.87 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 26' ' ' LEU . 13.1 pt20 -82.82 -13.49 56.12 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.996 -176.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -94.16 -36.18 12.17 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 36.4 mt-10 -93.23 -25.53 17.76 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -125.86 166.18 17.35 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.682 0.277 . . . . 0.0 110.593 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -145.34 170.22 16.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.46 -133.09 52.81 Favored Glycine 0 C--N 1.312 -0.772 0 O-C-N 123.97 0.794 . . . . 0.0 113.485 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -67.46 -29.95 69.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.073 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -63.05 -40.42 97.66 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.7 tp -66.41 -44.76 82.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.832 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -53.25 -52.65 58.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 124.163 0.914 . . . . 0.0 111.175 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 29.9 mt-10 -67.86 -41.62 82.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.02 -51.18 71.19 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.4 pt20 -64.91 -39.67 93.88 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.765 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 56.0 tt0 -57.97 -45.05 87.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 123.046 0.538 . . . . 0.0 110.514 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 65.1 mtt180 -66.23 -36.51 83.21 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.404 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.36 -38.55 90.42 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 56.0 mt-30 -65.95 -37.82 87.0 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 33.0 mm-40 -59.13 -48.36 81.89 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.25 -42.48 81.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.634 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--O 1.203 -1.39 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.775 175.701 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 65.2 t80 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 120.677 0.275 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.32 -46.03 90.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.33 -30.81 70.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.56 82.14 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.542 0.737 . . . . 0.0 109.992 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 70.6 mt-30 -55.04 -52.76 62.17 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.8 mm-40 -52.96 -49.56 65.84 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.552 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -56.87 -51.82 67.54 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.556 0.535 . . . . 0.0 110.758 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -74.26 -32.53 62.98 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.316 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -66.19 -26.56 67.46 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 121.168 0.509 . . . . 0.0 111.073 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.518 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 23.0 mtp180 -74.96 -45.25 43.47 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -52.43 -41.06 62.93 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.395 0.435 . . . . 0.0 111.381 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 91.5 mt-30 -69.87 -13.78 62.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 0.0 112.13 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -108.32 -47.36 3.54 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.965 0.412 . . . . 0.0 110.629 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 38.3 mt-10 -82.6 -25.16 33.48 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -120.35 160.49 22.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 20.4 pt20 -148.31 164.44 34.02 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 58.5 -128.51 47.79 Favored Glycine 0 C--N 1.305 -1.143 0 O-C-N 123.966 0.791 . . . . 0.0 112.858 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.82 -30.43 65.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 27.6 mmm180 -60.15 -39.76 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.737 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 19.4 tp -67.2 -46.56 73.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.5 mm-40 -56.98 -46.04 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.852 0.72 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.06 -45.15 90.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.495 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.75 -55.51 22.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.201 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -59.38 -39.63 83.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.14 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 35.2 tt0 -61.31 -48.84 79.52 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.557 0.536 . . . . 0.0 110.36 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -64.32 -35.21 80.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.8 m -62.11 -42.82 99.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -66.36 -41.14 89.94 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.551 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 30.0 mm-40 -59.86 -43.79 94.5 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.202 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.19 -50.62 73.35 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.471 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.217 -0.631 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.677 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 30.5 t80 . . . . . 0 N--CA 1.439 -0.996 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -64.45 -43.1 95.32 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -59.59 -45.99 90.27 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 123.916 0.76 . . . . 0.0 109.884 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.36 -48.97 77.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.984 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 56.2 mt-30 -57.8 -51.77 68.21 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.544 0.528 . . . . 0.0 111.953 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.23 -39.11 86.19 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.36 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.93 -52.89 63.63 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.157 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.0 mt-30 -61.36 -45.39 94.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.107 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -57.96 -41.8 83.66 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.426 0.454 . . . . 0.0 111.98 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.49 -46.25 80.44 Favored 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -57.9 -38.9 76.65 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 123.394 0.434 . . . . 0.0 110.926 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 50.3 mt-30 -68.71 -23.72 64.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -96.34 -50.45 4.77 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -78.35 -26.04 46.6 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -123.51 174.45 7.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.94 -0.475 . . . . 0.0 110.421 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -160.41 166.06 29.98 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.66 -118.93 4.59 Favored Glycine 0 C--N 1.311 -0.841 0 O-C-N 125.037 1.461 . . . . 0.0 115.069 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 52.7 mt-30 -65.05 -43.9 90.82 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.716 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -63.0 -33.6 75.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.558 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 46.5 tp -65.16 -55.4 18.87 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.145 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -56.95 -36.37 70.2 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.75 0.656 . . . . 0.0 111.675 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 48.5 mt-10 -66.23 -50.49 63.61 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.256 0.551 . . . . 0.0 109.98 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.3 t -61.21 -55.64 29.82 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.277 1.031 . . . . 0.0 111.248 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 4.1 pt20 -66.12 -26.01 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.568 -176.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.45 -43.83 96.27 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -62.81 -35.76 80.94 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.002 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' GLN . 56.0 m -59.13 -43.05 91.95 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.496 0.498 . . . . 0.0 109.915 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.26 -38.89 91.71 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -66.55 -41.93 87.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.692 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -55.99 -49.04 74.73 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 123.632 0.583 . . . . 0.0 109.569 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 112.183 -179.281 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.7 t80 . . . . . 0 N--CA 1.433 -1.314 0 CA-C-O 120.676 0.274 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -66.53 -40.65 89.25 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -58.58 -43.99 89.67 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 123.642 0.589 . . . . 0.0 109.63 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.1 tp -57.61 -51.36 69.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 123.485 0.491 . . . . 0.0 111.089 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.22 -54.3 45.12 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 123.855 0.722 . . . . 0.0 110.085 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 43.1 mt-10 -58.62 -45.35 89.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.741 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.25 -52.23 66.57 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 111.63 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 16.0 pt20 -68.59 -31.76 71.18 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.723 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -67.11 -39.1 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 4.4 mmp_? -66.1 -40.4 90.75 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.324 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.38 -39.2 75.57 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.9 mt-30 -68.82 -16.78 63.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -98.16 -41.87 7.71 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.889 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.28 -25.45 23.93 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -124.72 173.4 8.58 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -156.12 167.68 29.67 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 122.815 0.446 . . . . 0.0 110.006 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.74 -132.04 47.44 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 124.024 0.827 . . . . 0.0 114.275 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.945 0.498 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -68.25 -27.58 66.47 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.238 0.542 . . . . 0.0 109.791 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.39 -43.74 80.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.116 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -64.06 -40.78 97.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.96 -40.53 87.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.9 t -64.08 -50.03 69.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.509 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.01 -32.05 73.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.28 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 26.6 tt0 -60.25 -39.93 88.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -60.08 -46.26 90.19 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.9 m -60.03 -40.83 90.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.216 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -63.62 -40.25 96.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.847 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.3 mm-40 -62.65 -40.2 96.3 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.239 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -62.25 -46.0 90.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.738 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 C--N 1.305 -1.34 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.579 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.28 -51.89 67.62 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.422 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.01 -44.76 87.45 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.348 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 40.4 tp -55.36 -47.67 75.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 123.685 0.616 . . . . 0.0 111.715 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.32 -42.22 98.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.44 -49.57 77.3 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 42.0 mt-30 -67.47 -36.73 81.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.59 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -62.45 -42.09 99.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.333 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -63.85 -40.67 97.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.581 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.8 -35.77 77.31 Favored 'General case' 0 C--O 1.206 -1.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.3 mt-30 -67.39 -32.58 73.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.959 0.409 . . . . 0.0 111.032 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -77.9 -50.29 12.52 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.05 -25.49 27.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -125.6 168.46 13.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 122.033 -0.417 . . . . 0.0 111.278 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -156.35 166.02 34.64 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 123.356 0.662 . . . . 0.0 109.853 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.15 -137.82 45.7 Favored Glycine 0 C--O 1.242 0.644 0 O-C-N 123.865 0.728 . . . . 0.0 113.255 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -66.09 -33.29 75.45 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.96 0.904 . . . . 0.0 109.841 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -64.37 -31.94 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.47 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.46 -38.78 77.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.935 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.3 -43.76 98.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.51 -49.66 70.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.695 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.7 t -59.98 -51.75 68.32 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.051 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -62.75 -33.27 74.8 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.586 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 37.9 tt0 -60.46 -45.8 92.37 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 34.9 mmt180 -61.2 -34.63 75.39 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.105 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.78 -41.1 96.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.653 0.739 . . . . 0.0 109.352 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -70.94 -33.17 70.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.609 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.8 mm-40 -62.16 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 44.9 mt-10 -60.66 -47.17 87.46 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.072 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 C--N 1.318 -0.777 0 O-C-N 123.895 0.747 . . . . 0.0 111.264 177.203 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -64.17 -35.2 80.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.6 tp -58.53 -50.01 75.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.167 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 2.0 mp0 -60.55 -43.12 97.56 Favored 'General case' 0 C--O 1.211 -0.945 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.781 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 19.4 mm-40 -50.94 -54.14 26.81 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.468 0.48 . . . . 0.0 110.176 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -62.26 -53.51 54.12 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.625 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 17.2 pt20 -69.73 -36.13 75.59 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 29.9 mmt180 -68.48 -30.36 69.18 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.875 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 13.7 mmm180 -64.89 -46.73 80.54 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.48 -38.74 69.51 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.616 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 92.7 mt-30 -68.77 -20.66 64.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -101.15 -40.54 7.13 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.32 -25.56 27.08 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 26.0 mm-40 -125.57 159.26 32.53 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 122.209 -0.307 . . . . 0.0 110.316 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.93 155.35 49.26 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLN . . . 43.76 -115.99 1.34 Allowed Glycine 0 N--CA 1.47 0.919 0 O-C-N 124.523 1.14 . . . . 0.0 115.507 174.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -59.68 -44.99 93.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.941 0.897 . . . . 0.0 110.789 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 28.2 mmm180 -61.05 -39.97 91.84 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.405 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.28 -43.42 91.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.404 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 50.6 mt-30 -54.67 -52.99 60.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.81 0.694 . . . . 0.0 110.193 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 41.8 mt-10 -62.93 -46.51 87.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 124.011 0.819 . . . . 0.0 111.186 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.1 -56.33 22.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.121 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.2 pt20 -69.5 -28.64 66.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.77 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 23.6 tp60 -61.58 -42.52 98.97 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 98.0 mtt180 -62.7 -38.55 90.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.404 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -63.0 -40.44 97.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.91 176.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 96.6 mt-30 -66.14 -39.79 90.12 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.489 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.4 mm-40 -61.06 -41.79 97.27 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.22 -43.24 99.28 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.098 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.208 -1.081 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.744 177.208 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 66.3 t80 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 111.177 0.066 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -70.64 -32.21 69.44 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -70.21 -36.85 74.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.757 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 27.6 tp -57.61 -47.6 81.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.103 175.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.6 mt-30 -53.02 -49.24 66.66 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.997 0.811 . . . . 0.0 110.621 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.07 -47.43 82.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.972 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.98 -49.44 77.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.008 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 15.4 pt20 -68.2 -36.25 79.26 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.79 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -42.14 75.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 117.928 0.331 . . . . 0.0 110.406 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -64.71 -48.46 74.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.066 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.1 m -57.19 -38.67 74.0 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 96.6 mt-30 -73.54 -15.32 61.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -99.42 -48.7 4.69 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.305 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.7 -25.14 33.26 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.167 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 21.8 mm-40 -125.17 160.49 29.03 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.1 0.476 . . . . 0.0 110.338 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -151.13 162.32 41.09 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.827 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.17 -116.94 7.46 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 124.523 1.14 . . . . 0.0 114.381 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 50.7 tt0 -70.41 -38.37 74.62 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.461 0.704 . . . . 0.0 110.022 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.4 mmt180 -69.75 -27.98 65.4 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.362 0.601 . . . . 0.0 110.568 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 49.0 tp -68.3 -45.38 73.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.946 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 12.4 pt20 -63.72 -36.45 83.89 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 42.2 mt-10 -66.97 -45.7 76.92 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.79 -55.67 18.27 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 12.7 pt20 -66.65 -25.36 66.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.869 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -64.09 -38.54 91.43 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mtm105 -64.28 -35.53 81.13 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.043 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m -65.39 -32.92 74.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.602 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 45.3 mt-30 -69.41 -37.37 77.43 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.43 -52.43 65.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.237 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -41.11 70.94 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.742 0.651 . . . . 0.0 111.787 175.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.471 0.58 0 C-N-CA 123.071 0.549 . . . . 0.0 110.988 177.369 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.5 t80 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.33 -46.46 86.54 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -67.11 -40.91 86.96 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.812 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 2.0 tm? -51.0 -50.36 58.64 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.57 0.748 . . . . 0.0 110.829 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 48.9 mt-30 -57.18 -53.95 52.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 175.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.99 -41.25 82.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.34 -49.42 77.88 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.762 0.825 . . . . 0.0 110.168 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.5 pt20 -71.33 -30.74 66.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.707 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 28.5 mmm180 -62.79 -41.2 99.16 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -61.68 -45.51 93.7 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.751 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.06 -38.18 67.7 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.767 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 84.9 mt-30 -67.03 -25.33 66.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.739 0.304 . . . . 0.0 111.506 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -95.71 -48.36 5.81 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.277 0.561 . . . . 0.0 110.9 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -79.12 -25.08 43.0 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.01 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -125.47 170.46 11.39 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -155.2 164.58 38.62 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.85 -127.06 41.87 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 124.407 1.067 . . . . 0.0 113.81 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.7 tp-100 -66.26 -41.51 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.44 -40.05 71.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.555 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.2 tp -67.75 -46.95 70.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.063 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -57.82 -47.83 81.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.838 0.712 . . . . 0.0 110.454 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 49.4 mt-10 -62.2 -48.98 77.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.411 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.38 -56.04 26.96 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.248 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.8 pt20 -64.75 -36.66 85.02 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 36.0 tt0 -68.96 -38.73 79.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -67.99 -27.62 66.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.184 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 74.0 m -66.37 -36.49 83.0 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.0 -36.73 75.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.592 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.2 mm-40 -60.87 -43.53 98.27 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 52.6 mm-40 -55.0 -56.19 22.47 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.822 175.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 t80 . . . . . 0 C--O 1.243 0.754 0 O-C-N 123.988 0.805 . . . . 0.0 112.827 -178.365 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -63.95 -52.01 61.73 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -67.33 -35.01 78.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 37.9 tp -64.67 -50.05 68.57 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.94 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.11 -46.71 88.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.462 0.477 . . . . 0.0 111.547 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.98 -42.63 99.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.919 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.6 -51.7 57.73 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.661 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -67.42 -32.84 73.99 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.925 -0.484 . . . . 0.0 111.596 -178.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.99 -27.59 65.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 120.925 0.393 . . . . 0.0 112.052 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . 30.9 mtp180 -70.26 -45.48 66.32 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.101 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.3 m -55.41 -40.94 72.06 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.639 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.4 mt-30 -69.39 -18.7 63.79 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.062 0.458 . . . . 0.0 111.952 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -99.58 -52.8 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' ' 16' ' ' ARG . 39.0 mt-10 -78.43 -25.27 45.95 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.165 0.586 . . . . 0.0 112.152 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -122.3 175.02 6.63 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -163.37 170.53 17.38 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.37 -133.04 48.19 Favored Glycine 0 C--O 1.252 1.246 0 O-C-N 124.211 0.945 . . . . 0.0 113.381 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.6 tp-100 -69.54 -37.15 76.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.63 -34.68 73.1 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.916 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 24.5 tp -66.18 -45.62 80.21 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.99 -42.92 99.35 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.97 0.794 . . . . 0.0 110.334 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 43.6 mt-10 -62.99 -49.25 75.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.078 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 t -60.85 -54.05 49.9 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.503 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.3 pt20 -63.01 -31.88 73.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp60 -65.76 -35.28 80.28 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.56 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmm180 -67.34 -32.29 73.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 109.745 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 59.1 m -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.257 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.63 -30.48 68.21 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.102 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.3 mm-40 -61.52 -44.75 96.51 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 20.2 mm-40 -59.09 -45.59 90.44 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.608 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.217 -0.657 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.789 176.446 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.0 t80 . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.01 -48.03 83.4 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.11 -41.01 97.41 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.391 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 25.9 tp -55.97 -48.08 76.46 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.42 0.45 . . . . 0.0 111.018 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.32 -47.9 80.34 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 123.606 0.567 . . . . 0.0 110.918 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.1 mm-40 -64.1 -45.17 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -59.02 -51.96 67.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 123.548 0.53 . . . . 0.0 110.709 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.8 pt20 -64.37 -35.86 82.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.269 5.7 ppt_? -71.07 -28.45 64.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.385 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 49.1 mtp180 -66.62 -44.59 81.64 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.61 -38.15 69.08 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.519 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.5 mt-30 -69.46 -14.14 62.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.1 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -105.47 -46.38 4.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.443 0.639 . . . . 0.0 110.489 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.61 -25.79 41.37 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -126.45 176.31 7.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 27.1 pt20 -164.69 170.22 15.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.74 -137.69 48.49 Favored Glycine 0 C--O 1.251 1.165 0 O-C-N 123.362 0.414 . . . . 0.0 112.58 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.68 -34.34 77.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 28.5 mmm180 -57.05 -41.0 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.166 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.2 tp -67.6 -44.99 76.79 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.578 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.28 -48.98 78.73 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 124.302 1.001 . . . . 0.0 110.226 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 23.3 mm-40 -57.86 -54.36 47.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 O-C-N 123.605 0.566 . . . . 0.0 110.875 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 t -55.58 -54.97 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.75 0.657 . . . . 0.0 111.792 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 9.1 pt20 -63.05 -36.78 84.72 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.845 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 62.1 tp60 -64.69 -39.65 94.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 15.5 mmm180 -65.87 -40.17 91.39 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.345 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.21 -39.55 83.03 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.16 0.505 . . . . 0.0 109.768 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -65.97 -36.43 83.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.031 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -70.97 -40.31 72.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.78 -42.27 92.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.984 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.315 -0.918 0 C-N-CA 123.524 0.73 . . . . 0.0 111.383 175.37 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--O 1.238 0.47 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.38 144.28 16.13 Favored Glycine 0 N--CA 1.422 -2.239 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.9 175.29 11.37 Favored 'Trans proline' 0 C--O 1.247 0.962 0 C-N-CA 121.948 1.765 . . . . 0.0 110.257 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.51 161.38 31.12 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.4 pttm -67.46 -28.73 68.11 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.734 0.778 . . . . 0.0 109.498 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -78.01 -34.14 50.9 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 38.5 ttpt -61.65 -45.48 93.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 29.0 mmm180 -56.2 -47.57 78.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.57 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.4 tp -57.83 -47.81 81.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.596 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.524 0.515 . . . . 0.0 111.211 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.56 -52.95 63.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.5 -37.08 85.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -59.71 -44.92 93.52 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 118.095 0.407 . . . . 0.0 110.583 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -61.45 -48.88 79.13 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 123.711 0.632 . . . . 0.0 110.98 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.4 m -54.14 -38.32 65.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.512 0.508 . . . . 0.0 112.251 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.6 mt-30 -69.66 -16.26 63.33 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -110.15 -35.42 6.11 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.2 0.524 . . . . 0.0 110.985 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.45 -23.28 19.2 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.36 163.7 22.0 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.75 164.77 37.74 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 122.894 0.478 . . . . 0.0 109.82 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.27 -130.15 46.52 Favored Glycine 0 C--O 1.254 1.365 0 O-C-N 123.852 0.72 . . . . 0.0 112.859 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.0 tp-100 -61.31 -44.28 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.822 0.849 . . . . 0.0 108.886 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 21.5 mmm180 -57.7 -35.48 70.69 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.934 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.4 tp -68.86 -50.84 46.42 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.853 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -64.46 -35.26 80.35 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 123.537 0.523 . . . . 0.0 111.539 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 44.1 mt-10 -73.25 -41.05 64.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.503 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 32.7 t -59.1 -53.85 53.7 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.44 -28.92 70.3 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.75 -39.28 76.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 47.9 mtm180 -63.47 -37.49 87.48 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.7 m -59.49 -43.34 93.32 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.253 0.549 . . . . 0.0 109.544 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.7 -36.17 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.325 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -69.66 -44.47 70.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 36.9 mt-10 -60.42 -43.23 96.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.43 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -53.23 -41.37 65.34 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 123.32 0.648 . . . . 0.0 110.845 175.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -72.87 -34.25 66.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.821 0.82 . . . . 0.0 110.074 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -74.65 -24.22 58.79 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.4 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.6 mt-10 -75.4 -24.19 57.13 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 120.952 0.406 . . . . 0.0 110.403 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -81.39 -31.66 33.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.44 72.52 2.34 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 173.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.05 109.93 0.74 Allowed 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 124.508 1.123 . . . . 0.0 112.208 -171.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -80.31 -30.7 38.2 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.311 0.577 . . . . 0.0 109.49 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.37 -59.84 2.14 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.598 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.79 101.42 2.53 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.34 -13.58 13.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.381 1.086 . . . . 0.0 110.315 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -125.46 5.57 7.63 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 . . . . . 0 N--CA 1.424 -1.748 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -174.874 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.932 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.23 63.85 4.87 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 123.971 0.795 . . . . 0.0 113.78 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.39 168.96 17.76 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.145 1.897 . . . . 0.0 109.611 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -92.73 162.67 14.04 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -70.8 -38.34 73.32 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -68.45 -28.45 67.06 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.698 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.602 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.0 t80 -72.64 -33.35 66.57 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.083 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.86 -46.4 85.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 0.0 109.899 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -61.72 -36.51 81.17 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.087 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.62 -48.1 80.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.724 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.5 mt-30 -54.94 -51.85 64.81 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 123.688 0.617 . . . . 0.0 109.733 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 19.3 mm-40 -55.16 -50.64 68.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.199 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.1 t -61.12 -47.62 85.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.628 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 50.8 mt-30 -62.96 -44.63 95.53 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.844 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -63.38 -36.64 84.37 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 80.0 mtp180 -64.33 -40.99 96.98 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.8 m -63.39 -37.52 87.6 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.757 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 73.5 mt-30 -67.03 -23.74 65.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.781 0.324 . . . . 0.0 111.142 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -85.13 -55.07 4.23 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.413 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.8 -22.77 39.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -125.17 160.41 29.22 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.737 0.78 . . . . 0.0 112.785 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -152.65 171.02 18.82 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.32 -144.14 49.03 Favored Glycine 0 C--O 1.253 1.286 0 O-C-N 123.681 0.613 . . . . 0.0 112.968 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -64.69 -34.99 79.6 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.9 0.88 . . . . 0.0 110.63 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -64.56 -34.6 78.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.426 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 23.8 tp -66.51 -42.48 87.29 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.66 -46.83 83.73 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 124.015 0.822 . . . . 0.0 109.581 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 70.7 mm-40 -63.37 -48.77 76.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.074 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.5 t -57.01 -52.63 64.5 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.044 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.8 pt20 -69.02 -28.96 67.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.816 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.0 tt0 -64.84 -40.3 94.95 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 85.6 mtt180 -63.37 -35.45 80.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -66.0 -40.6 91.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 26.0 mm-40 -65.04 -39.77 93.82 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.388 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.1 mm-40 -58.87 -48.66 80.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.903 0.752 . . . . 0.0 109.552 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.41 -50.95 68.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 O-C-N 123.575 0.547 . . . . 0.0 110.93 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.593 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 63.5 t80 -54.12 -53.39 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.404 1.065 . . . . 0.0 111.645 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 97.9 mt-30 -56.04 -46.64 78.79 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 123.575 0.547 . . . . 0.0 110.948 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.19 -43.11 78.85 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.41 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.27 -8.01 55.48 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.639 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 37' ' ' TYR . 60.9 mtpt -67.52 -36.06 80.3 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.11 -95.9 2.42 Favored Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -127.29 110.38 12.77 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -73.51 -49.57 25.91 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -142.92 94.83 2.68 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.37 -154.88 8.87 Favored Glycine 0 N--CA 1.417 -2.604 0 C-N-CA 119.514 -1.327 . . . . 0.0 112.77 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -110.52 162.14 15.0 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -89.06 0.35 56.77 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 CA--C 1.503 -0.863 0 C-N-CA 125.433 1.493 . . . . 0.0 110.748 179.696 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.32 85.79 0.22 Allowed Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.28 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.52 162.46 16.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.077 1.851 . . . . 0.0 111.344 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.54 160.68 14.17 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.11 -45.23 70.73 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.974 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.438 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 15.2 m -70.25 -32.66 70.6 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -77.42 -30.34 53.43 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -67.75 -47.17 70.0 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.01 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 6' ' ' SER . 16.9 ptm180 -64.82 -32.28 73.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.32 -46.77 85.15 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 49.9 mt-30 -56.13 -55.05 37.77 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.525 0.515 . . . . 0.0 110.718 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.32 -40.75 82.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.711 0.632 . . . . 0.0 111.772 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -65.24 -48.21 74.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 56.3 mt-30 -63.86 -44.43 93.16 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.051 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 71.0 mtt180 -56.07 -41.61 75.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.957 0.408 . . . . 0.0 111.68 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.58 -45.89 77.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.535 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.6 m -57.41 -36.8 71.8 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.885 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 37.2 mt-30 -73.83 -12.51 60.71 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.045 0.45 . . . . 0.0 111.832 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -101.16 -48.5 4.38 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.174 0.512 . . . . 0.0 110.16 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -80.48 -25.14 38.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.193 0.597 . . . . 0.0 112.593 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' HG3' ' HB2' ' A' ' 29' ' ' CYS . 77.9 mm-40 -124.23 171.76 9.59 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -157.68 157.28 33.24 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.058 0.543 . . . . 0.0 109.581 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.76 -124.98 21.93 Favored Glycine 0 C--N 1.313 -0.713 0 O-C-N 124.889 1.368 . . . . 0.0 114.195 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -60.66 -39.73 89.47 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 123.737 0.815 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.96 -31.17 71.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.402 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.9 tp -67.04 -41.88 85.77 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.62 -37.84 85.45 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.406 0.441 . . . . 0.0 111.15 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 48.3 mt-10 -66.67 -47.9 71.04 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.927 0.394 . . . . 0.0 110.005 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 24.4 t -63.24 -52.21 63.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.712 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.1 pt20 -65.7 -28.23 68.91 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.302 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.65 -34.14 77.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 5.8 mmp_? -62.72 -43.67 98.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.6 m -60.97 -43.35 98.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.84 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.36 -42.06 90.69 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 123.636 0.585 . . . . 0.0 110.706 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 30.4 mm-40 -62.99 -48.27 79.55 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.6 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.96 -45.68 82.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -52.02 -50.0 62.27 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.808 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -68.96 -33.12 73.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.874 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 86.0 mtt180 -70.55 -15.61 62.79 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' OG ' ' A' ' 6' ' ' SER . 31.3 mt-10 -86.45 -10.3 54.49 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.492 -1.283 . . . . 0.0 111.52 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -88.78 1.73 54.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.19 0.995 . . . . 0.0 108.7 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.41 -121.79 1.06 Allowed Glycine 0 N--CA 1.426 -1.986 0 N-CA-C 106.843 -2.503 . . . . 0.0 106.843 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.423 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 98.4 mt-30 -137.43 150.96 48.02 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 117.561 0.681 . . . . 0.0 109.759 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -84.1 -38.97 20.08 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -68.63 163.15 24.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.588 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 32.41 3.83 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.17 11.19 39.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.238 0.542 . . . . 0.0 110.729 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.423 ' HB ' ' OE1' ' A' ' 43' ' ' GLN . 59.9 m -145.14 -44.64 0.22 Allowed 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.775 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--N 1.307 -1.265 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.537 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.93 -155.67 19.07 Favored Glycine 0 C--N 1.317 -0.509 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -61.43 129.06 26.74 Favored 'Trans proline' 0 C--O 1.25 1.093 0 C-N-CA 122.26 1.974 . . . . 0.0 109.901 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -89.01 160.84 16.9 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.806 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.37 -46.0 68.01 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -66.98 -40.24 87.36 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.074 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -77.46 -32.14 54.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.036 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.72 -48.22 75.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -65.97 -35.5 80.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.306 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -52.71 55.44 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 122.974 0.51 . . . . 0.0 111.233 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 12.3 pt20 -61.51 -41.72 97.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.94 -39.86 83.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.671 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.2 -50.27 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.451 0.3 . . . . 0.0 110.598 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.44 -37.66 88.16 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.51 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 35.5 mmt180 -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 110.426 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.0 mtp180 -63.1 -42.63 99.63 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.767 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -57.3 -36.82 71.56 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.54 -19.41 64.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.301 0.572 . . . . 0.0 111.288 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -91.4 -47.93 7.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 7.8 mm-40 -87.11 -25.15 24.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -173.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -124.08 171.64 9.62 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.03 164.33 38.64 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.34 -129.09 42.97 Favored Glycine 0 C--O 1.246 0.851 0 O-C-N 124.747 1.28 . . . . 0.0 115.183 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -66.92 -36.65 82.73 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -64.47 -31.47 72.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.281 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.83 -43.42 83.78 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.542 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -58.08 -44.71 87.7 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.741 0.651 . . . . 0.0 109.81 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.91 -44.26 85.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.024 0.827 . . . . 0.0 111.233 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.38 -49.34 75.93 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 94.6 mt-30 -63.96 -33.82 76.58 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.411 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.0 tt0 -60.23 -44.84 94.87 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.484 0.714 . . . . 0.0 109.6 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -57.99 -43.85 86.83 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -60.49 -43.84 96.57 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.074 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 78.5 mt-30 -66.38 -36.05 81.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.776 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.8 mm-40 -60.74 -46.84 88.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.42 -47.26 84.51 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.261 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -56.42 -37.83 70.74 Favored 'General case' 0 C--O 1.207 -1.16 0 O-C-N 123.41 0.443 . . . . 0.0 112.044 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -69.3 -31.76 70.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.085 0.469 . . . . 0.0 111.718 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -81.96 -46.64 13.73 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 122.04 0.924 . . . . 0.0 110.337 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -97.5 19.09 13.95 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.164 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -29.34 70.09 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.641 0.734 . . . . 0.0 110.675 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.15 138.09 8.59 Favored Glycine 0 N--CA 1.409 -3.163 0 N-CA-C 106.069 -2.812 . . . . 0.0 106.069 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -78.59 83.28 4.78 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.962 0.886 . . . . 0.0 110.523 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -101.06 -38.52 8.13 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.805 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -75.38 -36.02 60.99 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.8 131.54 16.06 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.65 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -85.83 150.07 24.8 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.4 m -77.2 86.61 3.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 t30 . . . . . 0 C--N 1.311 -1.107 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.305 -178.546 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 C--O 1.246 0.869 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.23 -176.25 26.59 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.63 153.46 34.22 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 122.254 1.969 . . . . 0.0 111.713 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -79.59 150.26 31.1 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.25 -47.6 84.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 m -66.08 -24.71 66.76 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.084 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -75.45 -35.77 60.84 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.32 -40.77 86.0 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.478 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -66.23 -35.71 81.14 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.912 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.95 -46.47 89.14 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.366 0.666 . . . . 0.0 110.708 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.3 mt-30 -59.3 -49.14 78.97 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.462 0.476 . . . . 0.0 109.999 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mm-40 -58.5 -41.07 84.55 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.194 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 t -63.18 -46.81 85.36 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.12 -44.73 87.78 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.391 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' GLN 0.312 0.0 OUTLIER -63.73 -23.35 67.33 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 177.488 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 82.3 mtp180 -77.52 -45.62 24.91 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.9 m -56.0 -39.3 71.67 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.266 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 15' ' ' ARG . 13.7 pt20 -78.66 -12.29 60.01 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.875 0.369 . . . . 0.0 111.802 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 m -94.65 -45.55 7.32 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.435 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.29 -25.7 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -125.01 168.88 12.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.011 0.434 . . . . 0.0 110.576 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -152.02 169.88 21.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.15 -130.39 50.94 Favored Glycine 0 C--O 1.25 1.121 0 O-C-N 124.199 0.937 . . . . 0.0 113.435 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 56.5 tp60 -73.37 -30.73 63.49 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -60.78 -36.03 77.94 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.763 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.6 tp -66.72 -43.29 84.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -58.24 -48.74 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.839 0.712 . . . . 0.0 110.798 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 43.0 mt-10 -59.8 -46.27 89.73 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.678 0.611 . . . . 0.0 110.313 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -62.8 -55.84 22.8 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.418 -177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 7.3 pt20 -62.08 -33.75 75.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.98 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 44.3 tt0 -57.18 -45.65 83.53 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 123.498 0.719 . . . . 0.0 110.146 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 94.9 mtt180 -69.01 -34.73 75.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.122 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.5 m -61.61 -36.24 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.185 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.88 -36.63 83.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.173 0.511 . . . . 0.0 110.429 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 67.9 mm-40 -71.82 -41.9 67.67 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.485 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 32' ' ' ARG . 49.4 mm-40 -55.89 -50.6 70.22 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.846 0.716 . . . . 0.0 109.443 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -52.83 -49.81 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.264 1.026 . . . . 0.0 111.702 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.15 -39.84 93.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.574 0.226 . . . . 0.0 111.283 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.01 -18.58 59.22 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.41 -32.6 60.8 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.906 175.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -84.07 -42.48 16.08 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.42 -115.73 5.22 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.49 170.13 11.61 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -94.91 -6.8 41.79 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.126 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -72.8 115.71 12.42 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.94 -61.27 0.43 Allowed Glycine 0 C--N 1.3 -1.432 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.72 16.15 8.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.957 0.884 . . . . 0.0 110.503 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -19.35 65.78 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.421 173.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 . . . . . 0 N--CA 1.427 -1.614 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.057 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 CA--C 1.5 -0.97 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.02 102.86 2.3 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.59 162.21 40.35 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.125 1.884 . . . . 0.0 113.84 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.64 165.13 15.4 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.677 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -57.79 -37.37 73.61 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 125.191 1.396 . . . . 0.0 110.786 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -65.83 -36.16 82.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.389 0.614 . . . . 0.0 109.815 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -76.94 -32.09 57.1 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 73.1 mmtt -62.06 -45.19 94.64 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -54.67 -42.57 71.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.608 0.567 . . . . 0.0 110.375 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.32 -48.7 80.63 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.076 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 49.0 mt-30 -61.61 -46.07 91.37 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 35.1 mm-40 -55.66 -47.82 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.384 0.428 . . . . 0.0 110.017 175.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 t -57.86 -56.08 26.56 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.9 -41.09 97.79 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.537 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 36.2 mmt180 -66.64 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.757 0.313 . . . . 0.0 111.363 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -69.21 -42.06 76.25 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.5 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.22 -40.42 77.46 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.92 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.1 pt20 -80.11 -12.98 59.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.115 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -89.29 -47.23 8.18 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.922 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.08 -25.13 23.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.2 mm-40 -118.59 161.25 20.35 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.935 -0.478 . . . . 0.0 110.371 -176.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -150.94 172.05 16.29 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.26 50.71 Favored Glycine 0 C--O 1.254 1.373 0 O-C-N 124.087 0.867 . . . . 0.0 112.868 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -74.29 -29.71 61.76 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.6 mmt180 -62.75 -40.3 96.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 14.4 tp -64.48 -46.35 83.41 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.154 175.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.47 -44.36 80.48 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 123.897 0.748 . . . . 0.0 111.41 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.28 -39.75 86.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.7 t -67.07 -48.67 67.52 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.2 pt20 -67.65 -28.96 68.15 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.06 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -60.55 -46.31 90.64 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 20.8 mtp180 -56.87 -50.68 71.75 Favored 'General case' 0 CA--C 1.491 -1.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.522 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -52.7 -46.23 67.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.064 0.853 . . . . 0.0 110.522 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.42 -49.63 76.8 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.0 mm-40 -65.09 -51.83 59.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.0 111.245 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 32' ' ' ARG . 50.9 mt-10 -64.57 -39.83 94.46 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.456 -176.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -57.39 -40.86 79.14 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.16 -25.27 64.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.406 0.622 . . . . 0.0 111.162 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -77.07 -31.96 56.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.131 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 45.6 mt-10 -118.94 31.49 6.62 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -66.82 -45.55 77.96 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 58.08 0.69 Allowed Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.746 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 40' ' ' GLU . 14.1 mm100 -77.47 151.64 34.56 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.922 0.391 . . . . 0.0 110.008 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -86.02 22.31 1.75 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.478 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -91.1 -35.71 14.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.05 166.92 22.52 Favored Glycine 0 N--CA 1.429 -1.83 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -86.61 152.65 22.41 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 116.885 0.343 . . . . 0.0 110.46 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 t -98.06 -5.89 32.94 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 m120 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.423 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.239 0.535 0 CA-C-O 120.422 0.154 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.59 144.91 17.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 108.497 -1.841 . . . . 0.0 108.497 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.36 103.77 1.15 Allowed 'Trans proline' 0 CA--C 1.507 -0.853 0 C-N-CA 122.923 2.415 . . . . 0.0 115.864 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 3.6 m-20 -102.02 131.89 48.19 Favored 'General case' 0 C--N 1.264 -3.113 0 CA-C-N 113.355 -1.748 . . . . 0.0 107.799 170.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -67.22 -36.78 82.42 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.345 0.593 . . . . 0.0 111.246 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -71.06 -31.33 67.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.17 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -79.89 -29.43 39.9 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.1 mmmt -58.83 -43.8 90.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -58.63 -49.71 76.51 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.509 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.99 -49.23 78.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.573 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -52.89 -55.12 25.58 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.039 0.536 . . . . 0.0 111.105 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 25.5 mm-40 -62.95 -47.06 84.85 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.62 -49.72 75.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.548 0.53 . . . . 0.0 111.474 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 57.6 mt-30 -63.62 -43.84 95.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 121.297 -0.161 . . . . 0.0 110.907 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -66.91 -35.11 79.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 10.5 mmm180 -61.72 -47.38 85.51 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -56.96 -38.51 73.08 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.108 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.9 mt-30 -68.8 -19.69 64.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 m -104.54 -38.25 6.84 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.968 0.413 . . . . 0.0 111.536 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.54 -24.73 22.83 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.1 mm-40 -125.97 165.94 17.85 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.85 166.53 33.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.05 -125.84 38.61 Favored Glycine 0 C--N 1.317 -0.495 0 O-C-N 124.063 0.852 . . . . 0.0 113.405 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.51 -27.45 66.14 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 122.912 0.485 . . . . 0.0 111.56 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 59.4 mtt180 -74.21 -31.73 62.74 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.237 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 48.1 tp -69.46 -43.41 73.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.267 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 11.3 mm100 -54.25 -53.66 50.65 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.123 0.89 . . . . 0.0 110.613 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 8.8 mm-40 -62.43 -47.67 83.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.953 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.9 t -57.45 -57.43 12.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 123.352 0.407 . . . . 0.0 112.022 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 pt20 -65.36 -33.09 75.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.667 -176.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 53.1 tt0 -66.5 -36.31 82.41 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.272 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 99.7 mtt180 -64.06 -35.97 82.48 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.165 0.507 . . . . 0.0 109.859 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.3 m -64.78 -42.23 95.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.229 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 53.5 mt-30 -64.34 -36.28 83.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.269 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 34.0 mm-40 -58.15 -51.4 69.89 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.14 -43.8 82.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' HD2' ' A' ' 41' ' ' LYS . 82.1 t80 -60.9 -45.05 96.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.276 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -62.53 -39.49 93.74 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.089 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 78.3 mtp180 -63.82 -35.21 79.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.734 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -82.97 -20.77 34.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 54.3 mtpt -69.48 -28.55 66.17 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.45 -178.19 44.17 Favored Glycine 0 N--CA 1.416 -2.671 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 13.8 mm-40 -106.49 119.86 40.39 Favored 'General case' 0 C--N 1.279 -2.494 0 O-C-N 122.544 -0.386 . . . . 0.0 110.474 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -71.54 -32.8 68.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 80.8 mt-30 -134.92 136.26 42.17 Favored 'General case' 0 N--CA 1.408 -2.539 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 171.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.55 170.94 24.75 Favored Glycine 0 C--N 1.288 -2.134 0 C-N-CA 119.857 -1.163 . . . . 0.0 111.86 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.92 104.53 6.31 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.3 t -101.81 1.9 37.69 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.637 0.732 . . . . 0.0 109.526 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 C--N 1.311 -1.104 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.097 -178.714 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 . . . . . 0 CA--C 1.5 -0.975 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.42 -140.96 27.06 Favored Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 120.222 -0.989 . . . . 0.0 110.669 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.27 -173.64 1.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 122.29 1.993 . . . . 0.0 110.424 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.86 143.88 56.6 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -60.77 -40.24 91.79 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -57.19 -37.67 72.52 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.091 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 69.9 t80 -72.47 -42.05 65.37 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.849 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 42.8 mtmt -64.63 -40.35 95.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.794 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.63 -27.35 69.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.591 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' TYR . 42.6 tp -62.74 -48.3 79.82 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -61.88 -39.05 90.56 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.305 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 9.8 mm-40 -55.06 -51.41 66.42 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.627 0.58 . . . . 0.0 109.888 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -61.6 -47.47 85.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.653 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 59.6 mt-30 -64.09 -45.04 90.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.202 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 29.0 mmm180 -61.44 -31.06 70.99 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.372 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -69.03 -44.75 72.08 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.2 m -59.83 -37.16 78.45 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.558 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 90.6 mt-30 -68.17 -32.79 73.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 m -86.0 -47.27 9.74 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.795 0.331 . . . . 0.0 111.608 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.89 -25.54 37.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -121.31 168.06 12.06 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.53 161.65 42.03 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 122.524 0.33 . . . . 0.0 110.175 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.33 -124.61 35.25 Favored Glycine 0 N--CA 1.448 -0.551 0 O-C-N 124.327 1.017 . . . . 0.0 113.579 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.15 -33.51 71.88 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 122.926 0.491 . . . . 0.0 110.412 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.78 -33.07 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.574 0.702 . . . . 0.0 109.501 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 25.9 tp -68.67 -45.64 71.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.87 175.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 14.6 mm100 -53.72 -45.88 70.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.092 0.87 . . . . 0.0 110.749 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 36.5 mm-40 -68.12 -46.11 71.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 t -60.44 -49.83 76.0 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.6 pt20 -63.56 -36.8 84.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.026 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.0 tt0 -57.81 -47.33 82.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.55 0.531 . . . . 0.0 109.912 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 24.6 mtm180 -61.83 -41.78 98.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.81 -38.55 91.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.206 0.527 . . . . 0.0 110.507 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.99 -32.5 74.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.181 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.27 -43.78 67.72 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.524 0.73 . . . . 0.0 111.066 175.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 70.6 t80 -56.98 -46.5 82.17 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.938 0.774 . . . . 0.0 110.976 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.85 -31.02 71.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.924 0.392 . . . . 0.0 111.312 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -71.03 -32.6 69.39 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.159 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -75.65 -31.92 60.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.289 0.566 . . . . 0.0 110.097 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 37' ' ' TYR . 32.1 mmmt -74.12 -15.25 61.05 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.92 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.54 -165.89 22.68 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -132.87 174.84 9.91 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -70.99 -35.19 72.0 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 172.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.99 112.97 3.19 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 113.667 -1.606 . . . . 0.0 107.255 171.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.88 2.69 Favored Glycine 0 C--N 1.283 -2.378 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -175.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.89 -18.5 23.68 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 121.902 0.858 . . . . 0.0 109.806 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.9 m -76.66 -66.21 0.84 Allowed 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.046 -1.433 . . . . 0.0 110.092 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.547 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 120.754 0.311 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.79 -178.05 42.93 Favored Glycine 0 N--CA 1.418 -2.555 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.98 -175.84 2.2 Favored 'Trans proline' 0 C--O 1.257 1.449 0 C-N-CA 122.686 2.258 . . . . 0.0 112.171 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.19 147.33 48.41 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.31 -28.67 65.35 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.093 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 10.7 m -67.49 -36.18 80.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.503 174.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.75 -35.2 67.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 20.8 ttpp -65.86 -41.21 91.96 Favored 'General case' 0 C--O 1.193 -1.907 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HD3' ' OE1' ' A' ' 45' ' ' GLN . 19.4 mmm180 -54.33 -46.46 72.9 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.32 0.648 . . . . 0.0 110.706 174.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.66 -45.94 90.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.654 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -63.54 -40.67 97.62 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.659 177.581 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 75.9 mm-40 -55.91 -49.41 73.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.65 -49.4 77.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 55.7 mt-30 -64.91 -37.44 87.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.063 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.8 mmp_? -60.77 -43.14 98.41 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -62.79 -49.26 75.67 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.449 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.95 -38.5 73.04 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.164 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 60.2 mt-30 -77.63 -12.12 59.94 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 m -99.09 -52.19 3.61 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.394 0.616 . . . . 0.0 110.295 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.48 -13.71 42.38 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 63.2 mm-40 -125.12 155.92 39.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.76 159.05 43.03 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.58 -116.36 3.63 Favored Glycine 0 C--N 1.309 -0.962 0 O-C-N 124.661 1.225 . . . . 0.0 115.131 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -75.42 -31.51 60.41 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.243 0.617 . . . . 0.0 110.459 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -64.11 -37.66 88.24 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.98 -41.57 97.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.822 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.35 -42.89 99.44 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.342 0.401 . . . . 0.0 111.085 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.72 -46.38 82.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.689 0.281 . . . . 0.0 110.832 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HG3' ' A' ' 21' ' ' GLN . 33.8 t -59.91 -54.22 48.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.7 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.51 -28.48 67.86 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.83 -43.67 98.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.32 -41.34 75.84 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.619 0.574 . . . . 0.0 110.25 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.8 m -57.39 -34.42 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -64.67 -54.2 35.42 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.035 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.85 -40.81 81.0 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.04 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 36.4 mt-10 -64.05 -40.01 95.35 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.9 -32.22 65.68 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 123.377 0.671 . . . . 0.0 111.464 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -77.14 -28.43 54.22 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.898 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 2.5 ptm180 -88.37 -13.37 40.8 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.491 0.662 . . . . 0.0 110.094 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -115.05 33.42 5.43 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -64.91 -32.96 74.92 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.433 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.6 -157.52 27.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.98 78.98 9.48 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.356 1.074 . . . . 0.0 109.642 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -58.92 -37.66 77.18 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.885 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 46.3 mt-30 -104.45 13.14 32.41 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.04 -151.8 39.38 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 105.937 -2.865 . . . . 0.0 105.937 -167.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-N 118.671 1.236 . . . . 0.0 109.226 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -54.74 -37.77 66.31 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.259 1.023 . . . . 0.0 111.16 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.307 -1.239 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.909 -176.858 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 . . . . . 0 CA--C 1.499 -1.012 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.12 135.55 14.4 Favored Glycine 0 N--CA 1.427 -1.93 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.16 153.53 58.13 Favored 'Trans proline' 0 C--O 1.247 0.973 0 C-N-CA 122.645 2.23 . . . . 0.0 110.909 -178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -73.45 155.01 39.72 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.6 pttm -66.11 -33.23 75.31 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.467 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -64.47 -42.19 96.04 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.549 0.69 . . . . 0.0 109.52 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.593 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.6 t80 -73.38 -32.04 64.25 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.508 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 59.7 mtpt -66.51 -44.65 81.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.6 mtp180 -57.81 -42.74 84.89 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 123.696 0.623 . . . . 0.0 110.034 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 30.6 tp -57.45 -49.01 77.65 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.188 175.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 77.1 mt-30 -54.65 -54.18 44.96 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 123.965 0.79 . . . . 0.0 109.792 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 47.5 mt-10 -55.07 -48.38 73.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.032 0.833 . . . . 0.0 110.226 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -58.5 -55.15 38.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.068 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 14.6 pt20 -65.14 -37.8 88.57 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.33 -38.91 92.71 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.425 0.155 . . . . 0.0 111.27 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 83.4 mtp180 -65.75 -42.23 91.19 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.899 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.45 -39.22 79.27 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.975 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.7 mt-30 -67.03 -21.34 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 112.02 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -87.32 -54.08 4.49 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 120.949 0.404 . . . . 0.0 110.041 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -82.1 -25.56 34.38 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -124.12 157.52 34.44 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.401 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 13.2 pt20 -149.22 165.54 31.55 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.284 0.634 . . . . 0.0 109.548 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.9 -133.55 52.69 Favored Glycine 0 C--N 1.315 -0.623 0 O-C-N 123.926 0.766 . . . . 0.0 112.979 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.7 -34.62 74.64 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.605 0.762 . . . . 0.0 110.553 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.022 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 59.7 tp -69.4 -45.36 69.43 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.61 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -50.69 -55.77 15.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.61 -44.64 96.62 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.754 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 13.1 t -64.04 -52.96 56.93 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 123.631 0.582 . . . . 0.0 111.087 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.3 pt20 -70.75 -32.18 69.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.011 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.15 -35.79 78.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 36.2 ptt180 -71.87 -29.22 64.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.851 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.73 -39.74 95.05 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.73 0.644 . . . . 0.0 109.654 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -60.53 -44.06 96.49 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.25 0.547 . . . . 0.0 109.72 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 29.2 mm-40 -64.44 -45.51 87.14 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.203 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -56.52 -42.55 78.61 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.086 0.469 . . . . 0.0 111.07 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -54.85 -52.87 61.43 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.637 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.21 -29.49 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.807 0.337 . . . . 0.0 111.651 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 76.5 mtp180 -73.52 -50.58 20.67 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.912 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -108.56 29.44 7.4 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -76.45 -51.52 11.63 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.91 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.24 -77.84 0.7 Allowed Glycine 0 C--O 1.248 1.012 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -90.32 164.47 14.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -160.86 118.15 2.37 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -85.87 92.68 8.71 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.23 -87.71 0.06 OUTLIER Glycine 0 C--N 1.3 -1.471 0 C-N-CA 119.856 -1.164 . . . . 0.0 111.759 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -86.45 21.39 2.13 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.331 1.062 . . . . 0.0 110.097 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -72.66 -16.59 61.69 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 125.331 1.452 . . . . 0.0 108.75 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.305 -1.363 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.896 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.27 -156.05 40.92 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.79 143.14 29.44 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.316 2.011 . . . . 0.0 110.039 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 5.7 t70 -87.71 172.33 9.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HG2' ' OD2' ' A' ' 4' ' ' ASP . 8.0 ptpp? -58.29 -40.96 83.33 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.721 1.209 . . . . 0.0 111.489 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -67.69 -29.54 68.83 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -78.69 -33.6 46.79 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.76 -48.95 72.68 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.205 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -58.84 -39.05 80.14 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.269 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.21 -50.74 72.86 Favored 'General case' 0 C--O 1.25 1.09 0 C-N-CA 122.825 0.45 . . . . 0.0 110.553 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -58.99 -51.08 71.6 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.556 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.89 -33.79 76.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.72 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.5 -49.37 73.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.52 -29.35 65.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.737 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.1 -40.92 95.56 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.3 mmm180 -66.02 -49.87 66.23 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.157 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.7 m -52.74 -39.16 61.87 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 26' ' ' LEU . 13.1 pt20 -82.82 -13.49 56.12 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.996 -176.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -94.16 -36.18 12.17 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 36.4 mt-10 -93.23 -25.53 17.76 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -125.86 166.18 17.35 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.682 0.277 . . . . 0.0 110.593 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -145.34 170.22 16.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.46 -133.09 52.81 Favored Glycine 0 C--N 1.312 -0.772 0 O-C-N 123.97 0.794 . . . . 0.0 113.485 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -67.46 -29.95 69.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.073 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -63.05 -40.42 97.66 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.7 tp -66.41 -44.76 82.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.832 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -53.25 -52.65 58.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 124.163 0.914 . . . . 0.0 111.175 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 29.9 mt-10 -67.86 -41.62 82.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.02 -51.18 71.19 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.4 pt20 -64.91 -39.67 93.88 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.765 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 56.0 tt0 -57.97 -45.05 87.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 123.046 0.538 . . . . 0.0 110.514 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 65.1 mtt180 -66.23 -36.51 83.21 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.404 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.36 -38.55 90.42 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 56.0 mt-30 -65.95 -37.82 87.0 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 33.0 mm-40 -59.13 -48.36 81.89 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.25 -42.48 81.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.634 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -64.07 -41.26 97.41 Favored 'General case' 0 C--O 1.203 -1.39 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.775 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.74 -34.45 74.45 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.331 0.586 . . . . 0.0 110.352 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 92.5 mtt180 -70.74 -49.57 45.37 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.097 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.57 7.36 36.74 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -20.74 37.47 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.46 54.47 Favored Glycine 0 N--CA 1.418 -2.528 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.97 92.3 3.13 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -87.82 -29.04 21.26 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.03 115.71 13.82 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 115.07 6.92 Favored Glycine 0 N--CA 1.44 -1.037 0 O-C-N 123.601 0.563 . . . . 0.0 112.992 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -100.87 74.29 1.62 Allowed 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 m -91.51 -30.99 16.13 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.302 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 . . . . . 0 C--N 1.305 -1.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.772 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 . . . . . 0 CA--C 1.515 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.03 95.37 2.14 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.68 138.2 48.49 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.565 2.176 . . . . 0.0 111.792 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.95 175.49 10.51 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.428 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.1 -56.36 17.53 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -171.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -70.11 -30.82 68.12 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.196 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 65.2 t80 -66.01 -38.3 88.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.32 -46.03 90.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.33 -30.81 70.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.56 82.14 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.542 0.737 . . . . 0.0 109.992 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 70.6 mt-30 -55.04 -52.76 62.17 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.8 mm-40 -52.96 -49.56 65.84 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.552 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -56.87 -51.82 67.54 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.556 0.535 . . . . 0.0 110.758 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -74.26 -32.53 62.98 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.316 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -66.19 -26.56 67.46 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 121.168 0.509 . . . . 0.0 111.073 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.518 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 23.0 mtp180 -74.96 -45.25 43.47 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -52.43 -41.06 62.93 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.395 0.435 . . . . 0.0 111.381 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 91.5 mt-30 -69.87 -13.78 62.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 0.0 112.13 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -108.32 -47.36 3.54 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.965 0.412 . . . . 0.0 110.629 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 38.3 mt-10 -82.6 -25.16 33.48 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -120.35 160.49 22.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 20.4 pt20 -148.31 164.44 34.02 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 58.5 -128.51 47.79 Favored Glycine 0 C--N 1.305 -1.143 0 O-C-N 123.966 0.791 . . . . 0.0 112.858 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.82 -30.43 65.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 27.6 mmm180 -60.15 -39.76 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.737 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 19.4 tp -67.2 -46.56 73.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.5 mm-40 -56.98 -46.04 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.852 0.72 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.06 -45.15 90.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.495 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.75 -55.51 22.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.201 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -59.38 -39.63 83.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.14 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 35.2 tt0 -61.31 -48.84 79.52 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.557 0.536 . . . . 0.0 110.36 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -64.32 -35.21 80.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.8 m -62.11 -42.82 99.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 79.4 mt-30 -66.36 -41.14 89.94 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.551 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 30.0 mm-40 -59.86 -43.79 94.5 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.202 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 47.1 mt-10 -59.19 -50.62 73.35 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.471 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -54.5 -41.07 69.18 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 15.5 mm100 -60.16 -32.93 71.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.25 0.548 . . . . 0.0 110.922 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -82.07 -30.61 31.24 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.999 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 12.6 pt-20 -112.31 26.12 10.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -11.2 41.14 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.51 1.19 Allowed Glycine 0 CA--C 1.477 -2.322 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.18 149.41 26.86 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 172.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.3 t60 73.34 -57.54 0.63 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.961 0.904 . . . . 0.0 110.346 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -118.48 90.36 3.32 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.77 -102.12 1.84 Allowed Glycine 0 C--N 1.297 -1.611 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.55 -8.21 49.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.27 0.557 . . . . 0.0 112.362 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -76.6 -17.54 59.13 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.522 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.5 -0.976 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.485 -178.333 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.82 -172.34 31.2 Favored Glycine 0 N--CA 1.435 -1.387 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -87.29 -162.84 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.888 0 C-N-CA 122.735 2.29 . . . . 0.0 112.056 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -53.7 138.97 33.84 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.069 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.89 -34.36 71.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -60.9 -39.26 88.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.941 177.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 30.5 t80 -79.69 -33.67 40.86 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.194 -176.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -64.45 -43.1 95.32 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -59.59 -45.99 90.27 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 123.916 0.76 . . . . 0.0 109.884 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.36 -48.97 77.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.984 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 56.2 mt-30 -57.8 -51.77 68.21 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.544 0.528 . . . . 0.0 111.953 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.23 -39.11 86.19 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.36 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.93 -52.89 63.63 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.157 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.0 mt-30 -61.36 -45.39 94.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.107 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -57.96 -41.8 83.66 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.426 0.454 . . . . 0.0 111.98 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.49 -46.25 80.44 Favored 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -57.9 -38.9 76.65 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 123.394 0.434 . . . . 0.0 110.926 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 50.3 mt-30 -68.71 -23.72 64.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -96.34 -50.45 4.77 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -78.35 -26.04 46.6 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -123.51 174.45 7.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.94 -0.475 . . . . 0.0 110.421 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -160.41 166.06 29.98 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.66 -118.93 4.59 Favored Glycine 0 C--N 1.311 -0.841 0 O-C-N 125.037 1.461 . . . . 0.0 115.069 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 52.7 mt-30 -65.05 -43.9 90.82 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.716 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -63.0 -33.6 75.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.558 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 46.5 tp -65.16 -55.4 18.87 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.145 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -56.95 -36.37 70.2 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.75 0.656 . . . . 0.0 111.675 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 48.5 mt-10 -66.23 -50.49 63.61 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.256 0.551 . . . . 0.0 109.98 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.3 t -61.21 -55.64 29.82 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.277 1.031 . . . . 0.0 111.248 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 4.1 pt20 -66.12 -26.01 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.568 -176.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.45 -43.83 96.27 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -62.81 -35.76 80.94 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.002 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' GLN . 56.0 m -59.13 -43.05 91.95 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.496 0.498 . . . . 0.0 109.915 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 53.1 mt-30 -65.26 -38.89 91.71 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.808 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -66.55 -41.93 87.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.692 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -55.99 -49.04 74.73 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 123.632 0.583 . . . . 0.0 109.569 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -50.58 -51.78 45.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 112.183 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 41.3 mt-30 -63.38 -38.65 91.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.237 0.541 . . . . 0.0 110.881 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -73.7 -37.31 65.22 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -75.51 -27.13 58.64 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -58.03 -48.91 78.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.25 -69.12 1.68 Allowed Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.497 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -91.19 150.76 21.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -92.58 -12.05 32.76 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.833 0.825 . . . . 0.0 109.637 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.518 ' HB3' ' OG1' ' A' ' 48' ' ' THR . 28.3 mt-30 -82.22 149.39 27.9 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.505 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.9 86.71 1.4 Allowed Glycine 0 N--CA 1.435 -1.395 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.92 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 66.45 5.21 3.64 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.518 ' OG1' ' HB3' ' A' ' 45' ' ' GLN . 5.7 p -86.17 -13.71 46.22 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.114 0.959 . . . . 0.0 109.921 176.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.4 t30 . . . . . 0 N--CA 1.424 -1.771 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -179.558 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 CA--C 1.505 -0.752 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.79 -160.69 32.55 Favored Glycine 0 N--CA 1.439 -1.139 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 175.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.14 120.65 8.63 Favored 'Trans proline' 0 CA--C 1.5 -1.209 0 C-N-CA 122.559 2.173 . . . . 0.0 110.79 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.41 165.45 23.76 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.84 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 93.7 mttt -56.3 -52.69 63.6 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 124.418 1.087 . . . . 0.0 110.365 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -65.89 -31.14 71.91 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.411 0.624 . . . . 0.0 110.564 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -78.21 -36.55 47.05 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.351 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -66.53 -40.65 89.25 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 46.1 mtp180 -58.58 -43.99 89.67 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 123.642 0.589 . . . . 0.0 109.63 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.1 tp -57.61 -51.36 69.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 123.485 0.491 . . . . 0.0 111.089 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.22 -54.3 45.12 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 123.855 0.722 . . . . 0.0 110.085 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 43.1 mt-10 -58.62 -45.35 89.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.741 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.25 -52.23 66.57 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 111.63 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 16.0 pt20 -68.59 -31.76 71.18 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.723 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -67.11 -39.1 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 4.4 mmp_? -66.1 -40.4 90.75 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.324 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.38 -39.2 75.57 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.9 mt-30 -68.82 -16.78 63.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -98.16 -41.87 7.71 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.889 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.28 -25.45 23.93 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -124.72 173.4 8.58 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -156.12 167.68 29.67 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 122.815 0.446 . . . . 0.0 110.006 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.74 -132.04 47.44 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 124.024 0.827 . . . . 0.0 114.275 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.945 0.498 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -68.25 -27.58 66.47 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.238 0.542 . . . . 0.0 109.791 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.39 -43.74 80.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.116 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -64.06 -40.78 97.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.96 -40.53 87.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.9 t -64.08 -50.03 69.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.509 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.01 -32.05 73.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.28 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 26.6 tt0 -60.25 -39.93 88.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -60.08 -46.26 90.19 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.9 m -60.03 -40.83 90.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.216 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.572 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 16.2 mm100 -63.62 -40.25 96.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.847 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.3 mm-40 -62.65 -40.2 96.3 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.239 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -62.25 -46.0 90.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.738 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -58.9 -37.33 76.36 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.579 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 12.4 mm100 -73.15 -29.25 62.74 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.296 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 18.0 mmm180 -70.52 -39.75 73.9 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.543 0.687 . . . . 0.0 109.249 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.45 2.52 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 62.9 pttt -85.4 -17.77 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.669 -0.812 . . . . 0.0 108.991 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.59 76.29 0.27 Allowed Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.56 75.48 7.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.883 0.849 . . . . 0.0 110.234 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.22 8.46 41.67 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.635 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -73.8 111.6 9.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.896 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.79 -1.23 48.55 Favored Glycine 0 N--CA 1.44 -1.097 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.381 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -77.14 102.18 6.46 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.959 0.409 . . . . 0.0 110.88 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -105.5 -9.51 17.43 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.959 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 . . . . . 0 C--O 1.238 0.456 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 3' ' ' PRO . . . -85.98 143.84 19.9 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 173.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD3' ' HA2' ' A' ' 2' ' ' GLY . 46.0 Cg_exo -59.31 174.33 1.07 Allowed 'Trans proline' 0 C--O 1.249 1.026 0 C-N-CA 123.457 2.771 . . . . 0.0 113.944 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.21 157.97 5.74 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.36 1.064 . . . . 0.0 111.2 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.1 ptmm? -47.99 -45.93 32.13 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.264 1.426 . . . . 0.0 112.675 -174.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' OG ' ' HB3' ' A' ' 40' ' ' GLU . 16.5 m -67.06 -41.2 86.87 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.946 0.403 . . . . 0.0 112.04 -176.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -78.06 -32.52 50.85 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.28 -51.89 67.62 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.422 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 50.0 mtp180 -58.01 -44.76 87.45 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.348 177.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 40.4 tp -55.36 -47.67 75.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 123.685 0.616 . . . . 0.0 111.715 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.32 -42.22 98.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.44 -49.57 77.3 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 42.0 mt-30 -67.47 -36.73 81.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.59 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -62.45 -42.09 99.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.333 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -63.85 -40.67 97.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.581 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.8 -35.77 77.31 Favored 'General case' 0 C--O 1.206 -1.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.3 mt-30 -67.39 -32.58 73.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.959 0.409 . . . . 0.0 111.032 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -77.9 -50.29 12.52 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.05 -25.49 27.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -125.6 168.46 13.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 122.033 -0.417 . . . . 0.0 111.278 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -156.35 166.02 34.64 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 123.356 0.662 . . . . 0.0 109.853 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.15 -137.82 45.7 Favored Glycine 0 C--O 1.242 0.644 0 O-C-N 123.865 0.728 . . . . 0.0 113.255 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -66.09 -33.29 75.45 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.96 0.904 . . . . 0.0 109.841 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -64.37 -31.94 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.47 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.46 -38.78 77.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.935 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.3 -43.76 98.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.51 -49.66 70.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.695 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.7 t -59.98 -51.75 68.32 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.051 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -62.75 -33.27 74.8 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.586 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 37.9 tt0 -60.46 -45.8 92.37 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 34.9 mmt180 -61.2 -34.63 75.39 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.105 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.78 -41.1 96.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.653 0.739 . . . . 0.0 109.352 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 77.7 mt-30 -70.94 -33.17 70.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.609 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.8 mm-40 -62.16 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 44.9 mt-10 -60.66 -47.17 87.46 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.072 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -55.32 -35.34 65.04 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.895 0.747 . . . . 0.0 111.264 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 78.9 mt-30 -67.64 -41.14 84.34 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.23 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -71.57 -18.03 62.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.196 0.598 . . . . 0.0 110.518 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 20.1 mm-40 -81.99 -28.37 32.66 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.208 1.003 . . . . 0.0 110.916 176.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -87.19 -48.82 7.73 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.12 90.04 1.24 Allowed Glycine 0 N--CA 1.412 -2.964 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.73 83.15 0.88 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 120.819 0.342 . . . . 0.0 110.16 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -73.59 -51.75 15.79 Favored 'General case' 0 CA--C 1.491 -1.306 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -115.97 94.64 4.75 Favored 'General case' 0 N--CA 1.405 -2.72 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.493 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.87 -168.11 15.7 Favored Glycine 0 N--CA 1.425 -2.055 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -92.04 -14.86 28.67 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.422 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -121.93 3.91 9.95 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.64 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.309 -1.182 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -177.1 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 120.829 0.347 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.87 111.28 4.11 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -76.01 163.42 33.13 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.452 2.101 . . . . 0.0 111.343 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.75 159.62 24.74 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -60.7 -42.85 98.02 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -82.36 -20.0 38.11 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 120.991 0.424 . . . . 0.0 110.357 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -75.39 -37.08 60.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -64.17 -35.2 80.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.6 tp -58.53 -50.01 75.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.167 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 2.0 mp0 -60.55 -43.12 97.56 Favored 'General case' 0 C--O 1.211 -0.945 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.781 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 19.4 mm-40 -50.94 -54.14 26.81 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.468 0.48 . . . . 0.0 110.176 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -62.26 -53.51 54.12 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.625 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 17.2 pt20 -69.73 -36.13 75.59 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 29.9 mmt180 -68.48 -30.36 69.18 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.875 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 13.7 mmm180 -64.89 -46.73 80.54 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.48 -38.74 69.51 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.616 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 92.7 mt-30 -68.77 -20.66 64.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -101.15 -40.54 7.13 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.32 -25.56 27.08 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 26.0 mm-40 -125.57 159.26 32.53 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 122.209 -0.307 . . . . 0.0 110.316 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.93 155.35 49.26 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLN . . . 43.76 -115.99 1.34 Allowed Glycine 0 N--CA 1.47 0.919 0 O-C-N 124.523 1.14 . . . . 0.0 115.507 174.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -59.68 -44.99 93.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.941 0.897 . . . . 0.0 110.789 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 28.2 mmm180 -61.05 -39.97 91.84 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.405 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.28 -43.42 91.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.404 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 50.6 mt-30 -54.67 -52.99 60.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.81 0.694 . . . . 0.0 110.193 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 41.8 mt-10 -62.93 -46.51 87.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 124.011 0.819 . . . . 0.0 111.186 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.1 -56.33 22.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.121 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.2 pt20 -69.5 -28.64 66.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.77 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 23.6 tp60 -61.58 -42.52 98.97 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 98.0 mtt180 -62.7 -38.55 90.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.404 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -63.0 -40.44 97.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.91 176.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 96.6 mt-30 -66.14 -39.79 90.12 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.489 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.4 mm-40 -61.06 -41.79 97.27 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 39' ' ' ARG . 34.6 mt-10 -62.22 -43.24 99.28 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.098 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.5 -36.14 77.62 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.744 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 96.2 mt-30 -65.34 -34.73 79.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.752 0.31 . . . . 0.0 110.558 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 92.3 mtt180 -66.33 -48.83 69.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.219 1.009 . . . . 0.0 108.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.87 -1.53 56.64 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.361 -1.291 . . . . 0.0 114.093 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 63.3 pttt -87.54 -30.73 20.33 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.76 70.83 0.43 Allowed Glycine 0 N--CA 1.423 -2.221 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -81.51 97.08 7.63 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -93.2 74.17 4.62 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.444 0.64 . . . . 0.0 109.715 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -145.74 103.79 3.81 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 42.04 0.02 OUTLIER Glycine 0 C--N 1.295 -1.697 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.89 130.43 42.94 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 123.646 0.778 . . . . 0.0 110.643 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.2 p -82.57 79.43 8.99 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 121.849 0.833 . . . . 0.0 109.93 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.0 t30 . . . . . 0 C--N 1.294 -1.81 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.734 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.43 -151.78 43.86 Favored Glycine 0 C--O 1.251 1.172 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.455 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -70.84 155.45 62.33 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.241 1.96 . . . . 0.0 111.006 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.09 151.58 30.62 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 123.513 0.725 . . . . 0.0 110.11 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.1 pttp -58.27 -38.38 76.85 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.543 0.687 . . . . 0.0 110.308 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -65.71 -40.99 92.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.63 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 66.3 t80 -78.32 -36.98 45.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.177 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -70.64 -32.21 69.44 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 75.7 mtp180 -70.21 -36.85 74.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.757 175.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 27.6 tp -57.61 -47.6 81.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.103 175.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.6 mt-30 -53.02 -49.24 66.66 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.997 0.811 . . . . 0.0 110.621 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.07 -47.43 82.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.972 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.98 -49.44 77.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.008 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 15.4 pt20 -68.2 -36.25 79.26 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.79 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -42.14 75.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 117.928 0.331 . . . . 0.0 110.406 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -64.71 -48.46 74.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.066 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.1 m -57.19 -38.67 74.0 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 96.6 mt-30 -73.54 -15.32 61.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -99.42 -48.7 4.69 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.305 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.7 -25.14 33.26 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.167 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 21.8 mm-40 -125.17 160.49 29.03 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.1 0.476 . . . . 0.0 110.338 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -151.13 162.32 41.09 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.827 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.17 -116.94 7.46 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 124.523 1.14 . . . . 0.0 114.381 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 50.7 tt0 -70.41 -38.37 74.62 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.461 0.704 . . . . 0.0 110.022 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.4 mmt180 -69.75 -27.98 65.4 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.362 0.601 . . . . 0.0 110.568 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 49.0 tp -68.3 -45.38 73.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.946 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 12.4 pt20 -63.72 -36.45 83.89 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 42.2 mt-10 -66.97 -45.7 76.92 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.79 -55.67 18.27 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 12.7 pt20 -66.65 -25.36 66.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.869 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -64.09 -38.54 91.43 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mtm105 -64.28 -35.53 81.13 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.043 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m -65.39 -32.92 74.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.602 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 45.3 mt-30 -69.41 -37.37 77.43 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.43 -52.43 65.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.237 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.03 -41.11 70.94 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.742 0.651 . . . . 0.0 111.787 175.276 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 64.0 t80 -55.85 -48.73 74.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.071 0.549 . . . . 0.0 110.988 177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -70.83 -31.86 68.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -69.38 -33.1 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.453 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 13.5 mm-40 -77.96 -23.66 48.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.386 177.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 37' ' ' TYR . 53.8 mtpt -82.58 -50.92 8.27 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.611 177.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.11 156.21 7.23 Favored Glycine 0 N--CA 1.429 -1.825 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -76.11 95.62 3.69 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 123.397 0.679 . . . . 0.0 109.997 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.3 m80 43.4 62.76 1.76 Allowed 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.735 1.214 . . . . 0.0 112.763 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -127.43 163.69 23.52 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.903 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.86 163.69 26.91 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 67.22 16.25 10.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.797 1.239 . . . . 0.0 112.498 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 t -127.91 76.79 1.71 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.783 1.277 . . . . 0.0 107.683 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 C--N 1.294 -1.839 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.635 -174.326 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.69 151.94 20.33 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.0 151.84 83.54 Favored 'Trans proline' 0 C--O 1.255 1.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.664 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -71.31 151.83 43.81 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -68.15 -28.15 67.04 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.503 0.668 . . . . 0.0 110.2 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -68.29 -27.74 66.58 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.347 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -77.38 -32.02 54.64 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.33 -46.46 86.54 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -67.11 -40.91 86.96 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.812 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 2.0 tm? -51.0 -50.36 58.64 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.57 0.748 . . . . 0.0 110.829 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 48.9 mt-30 -57.18 -53.95 52.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 175.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.99 -41.25 82.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.34 -49.42 77.88 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.762 0.825 . . . . 0.0 110.168 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.5 pt20 -71.33 -30.74 66.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.707 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 28.5 mmm180 -62.79 -41.2 99.16 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -61.68 -45.51 93.7 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.751 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.06 -38.18 67.7 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.767 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 84.9 mt-30 -67.03 -25.33 66.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.739 0.304 . . . . 0.0 111.506 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -95.71 -48.36 5.81 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.277 0.561 . . . . 0.0 110.9 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -79.12 -25.08 43.0 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.01 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -125.47 170.46 11.39 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -155.2 164.58 38.62 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.85 -127.06 41.87 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 124.407 1.067 . . . . 0.0 113.81 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.7 tp-100 -66.26 -41.51 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.44 -40.05 71.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.555 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.2 tp -67.75 -46.95 70.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.063 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -57.82 -47.83 81.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.838 0.712 . . . . 0.0 110.454 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 49.4 mt-10 -62.2 -48.98 77.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.411 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.38 -56.04 26.96 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.248 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.8 pt20 -64.75 -36.66 85.02 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 36.0 tt0 -68.96 -38.73 79.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -67.99 -27.62 66.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.184 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 74.0 m -66.37 -36.49 83.0 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.0 -36.73 75.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.592 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.2 mm-40 -60.87 -43.53 98.27 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 52.6 mm-40 -55.0 -56.19 22.47 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.822 175.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -52.06 -45.16 64.61 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 123.988 0.805 . . . . 0.0 112.827 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -68.03 -35.09 77.68 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.416 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -79.83 -22.13 43.36 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.9 mm-40 -74.68 -31.9 62.05 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -86.98 -35.33 18.9 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.461 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.77 145.36 14.7 Favored Glycine 0 N--CA 1.427 -1.908 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.682 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -104.58 97.49 7.39 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -122.39 -17.47 7.05 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.575 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -94.1 131.16 39.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.321 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.07 67.24 3.03 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -109.35 7.22 24.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.774 0.797 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.1 t -149.55 21.73 0.92 Allowed 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.644 -1.162 . . . . 0.0 107.904 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.544 -177.803 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 . . . . . 0 C--O 1.239 0.508 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.38 152.34 24.3 Favored Glycine 0 N--CA 1.428 -1.872 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.59 162.15 36.03 Favored 'Trans proline' 0 C--O 1.247 0.942 0 C-N-CA 122.038 1.825 . . . . 0.0 111.036 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.19 167.64 21.53 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HG3' ' H ' ' A' ' 5' ' ' LYS . 24.6 mtmm -46.99 -47.43 21.98 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 125.941 1.696 . . . . 0.0 108.224 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.629 ' OG ' ' HA ' ' A' ' 41' ' ' LYS . 3.2 m -62.81 -47.08 85.01 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 113.193 -1.821 . . . . 0.0 112.072 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -76.5 -28.08 56.29 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.827 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -63.95 -52.01 61.73 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.473 HH12 ' CD ' ' A' ' 40' ' ' GLU . 16.2 ptm180 -67.33 -35.01 78.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.877 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 37.9 tp -64.67 -50.05 68.57 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.94 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.11 -46.71 88.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.462 0.477 . . . . 0.0 111.547 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.98 -42.63 99.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.919 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.6 -51.7 57.73 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.661 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -67.42 -32.84 73.99 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.925 -0.484 . . . . 0.0 111.596 -178.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.99 -27.59 65.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 120.925 0.393 . . . . 0.0 112.052 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . 30.9 mtp180 -70.26 -45.48 66.32 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.101 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.3 m -55.41 -40.94 72.06 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.639 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.4 mt-30 -69.39 -18.7 63.79 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.062 0.458 . . . . 0.0 111.952 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -99.58 -52.8 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' ' 16' ' ' ARG . 39.0 mt-10 -78.43 -25.27 45.95 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.165 0.586 . . . . 0.0 112.152 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -122.3 175.02 6.63 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -163.37 170.53 17.38 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.37 -133.04 48.19 Favored Glycine 0 C--O 1.252 1.246 0 O-C-N 124.211 0.945 . . . . 0.0 113.381 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.6 tp-100 -69.54 -37.15 76.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.63 -34.68 73.1 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.916 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 24.5 tp -66.18 -45.62 80.21 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.99 -42.92 99.35 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.97 0.794 . . . . 0.0 110.334 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 43.6 mt-10 -62.99 -49.25 75.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.078 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 t -60.85 -54.05 49.9 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.503 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.3 pt20 -63.01 -31.88 73.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp60 -65.76 -35.28 80.28 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.56 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmm180 -67.34 -32.29 73.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 109.745 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 59.1 m -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.257 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.63 -30.48 68.21 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.102 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.3 mm-40 -61.52 -44.75 96.51 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 20.2 mm-40 -59.09 -45.59 90.44 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.608 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 70.0 t80 -54.73 -53.63 52.51 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.789 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 14.3 mm-40 -68.94 -41.71 77.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 40' ' ' GLU . 14.3 ptm180 -61.78 -51.22 69.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' HH12 ' A' ' 9' ' ' ARG . 45.0 mt-10 -106.59 26.93 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -172.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 61.6 pttt -71.51 -35.57 70.79 Favored 'General case' 0 C--O 1.25 1.089 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.69 -65.25 0.76 Allowed Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.14 151.8 26.79 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -70.78 -32.23 69.27 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -90.27 -6.76 54.8 Favored 'General case' 0 C--O 1.25 1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.13 -147.35 50.88 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.471 -174.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.63 73.67 8.55 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.846 0.831 . . . . 0.0 108.977 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 t -77.71 80.94 4.16 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.913 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.236 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.78 107.23 0.21 Allowed Glycine 0 N--CA 1.425 -2.077 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.72 -175.98 2.84 Favored 'Trans proline' 0 N--CA 1.443 -1.481 0 C-N-CA 121.757 1.638 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -89.0 132.86 34.54 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -62.4 -35.44 79.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.646 . . . . 0.0 109.932 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' A' ' 41' ' ' LYS . 2.8 m -73.67 -34.3 64.84 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.71 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -76.16 -32.13 58.92 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.01 -48.03 83.4 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.11 -41.01 97.41 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.391 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 25.9 tp -55.97 -48.08 76.46 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.42 0.45 . . . . 0.0 111.018 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.32 -47.9 80.34 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 123.606 0.567 . . . . 0.0 110.918 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.1 mm-40 -64.1 -45.17 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -59.02 -51.96 67.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 123.548 0.53 . . . . 0.0 110.709 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.8 pt20 -64.37 -35.86 82.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.269 5.7 ppt_? -71.07 -28.45 64.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.385 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 49.1 mtp180 -66.62 -44.59 81.64 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.61 -38.15 69.08 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.519 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.5 mt-30 -69.46 -14.14 62.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.1 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -105.47 -46.38 4.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.443 0.639 . . . . 0.0 110.489 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.61 -25.79 41.37 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -126.45 176.31 7.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 27.1 pt20 -164.69 170.22 15.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.74 -137.69 48.49 Favored Glycine 0 C--O 1.251 1.165 0 O-C-N 123.362 0.414 . . . . 0.0 112.58 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.68 -34.34 77.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 28.5 mmm180 -57.05 -41.0 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.166 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.2 tp -67.6 -44.99 76.79 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.578 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.28 -48.98 78.73 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 124.302 1.001 . . . . 0.0 110.226 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 23.3 mm-40 -57.86 -54.36 47.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 O-C-N 123.605 0.566 . . . . 0.0 110.875 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 t -55.58 -54.97 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.75 0.657 . . . . 0.0 111.792 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 9.1 pt20 -63.05 -36.78 84.72 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.845 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 62.1 tp60 -64.69 -39.65 94.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 15.5 mmm180 -65.87 -40.17 91.39 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.345 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.21 -39.55 83.03 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.16 0.505 . . . . 0.0 109.768 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -65.97 -36.43 83.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.031 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -70.97 -40.31 72.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 40.3 mt-10 -59.78 -42.27 92.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.984 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -51.59 -42.45 61.92 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 123.524 0.73 . . . . 0.0 111.383 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 49.7 mt-30 -71.54 -22.13 61.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.533 0.682 . . . . 0.0 110.665 -178.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -86.66 -54.02 4.62 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.771 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 12.0 pt-20 -88.88 16.05 7.51 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 23.1 pttp -71.49 -30.57 66.12 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.093 0.473 . . . . 0.0 110.959 178.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.35 -77.34 0.61 Allowed Glycine 0 N--CA 1.423 -2.211 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -119.1 134.53 55.15 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -61.26 -54.41 44.48 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -171.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -78.01 -22.84 48.67 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 119.29 2.67 Favored Glycine 0 N--CA 1.425 -2.067 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.11 136.82 39.85 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -101.09 0.02 37.11 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.3 m120 . . . . . 0 C--N 1.314 -0.961 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.36 177.768 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.0 t80 . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.65 -45.48 93.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -56.2 -47.57 78.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.4 tp -57.83 -47.81 81.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.596 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.524 0.515 . . . . 0.0 111.211 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.56 -52.95 63.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.5 -37.08 85.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -59.71 -44.92 93.52 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 118.095 0.407 . . . . 0.0 110.583 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -61.45 -48.88 79.13 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 123.711 0.632 . . . . 0.0 110.98 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.4 m -54.14 -38.32 65.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.512 0.508 . . . . 0.0 112.251 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.8 mt-30 -69.66 -16.26 63.33 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -110.15 -35.42 6.11 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.2 0.524 . . . . 0.0 110.985 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.45 -23.28 19.2 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.36 163.7 22.0 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.75 164.77 37.74 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 122.894 0.478 . . . . 0.0 109.82 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.27 -130.15 46.52 Favored Glycine 0 C--O 1.254 1.365 0 O-C-N 123.852 0.72 . . . . 0.0 112.859 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.0 tp-100 -61.31 -44.28 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.822 0.849 . . . . 0.0 108.886 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 21.5 mmm180 -57.7 -35.48 70.69 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.934 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.4 tp -68.86 -50.84 46.42 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.853 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.46 -35.26 80.35 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 123.537 0.523 . . . . 0.0 111.539 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 44.1 mt-10 -73.25 -41.05 64.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.503 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 32.7 t -59.1 -53.85 53.7 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.44 -28.92 70.3 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.75 -39.28 76.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 47.9 mtm180 -63.47 -37.49 87.48 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.7 m -59.49 -43.34 93.32 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.253 0.549 . . . . 0.0 109.544 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.7 -36.17 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.325 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -69.66 -44.47 70.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.42 -43.23 96.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.43 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 123.32 0.648 . . . . 0.0 110.845 175.23 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.602 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.0 t80 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.86 -46.4 85.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 0.0 109.899 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -61.72 -36.51 81.17 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.087 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.62 -48.1 80.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.724 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.5 mt-30 -54.94 -51.85 64.81 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 123.688 0.617 . . . . 0.0 109.733 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 19.3 mm-40 -55.16 -50.64 68.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.199 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.1 t -61.12 -47.62 85.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.628 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 43.7 mt-30 -62.96 -44.63 95.53 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.844 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -63.38 -36.64 84.37 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 80.0 mtp180 -64.33 -40.99 96.98 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.8 m -63.39 -37.52 87.6 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.757 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 23.2 mt-30 -67.03 -23.74 65.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.781 0.324 . . . . 0.0 111.142 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -85.13 -55.07 4.23 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.413 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.8 -22.77 39.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -125.17 160.41 29.22 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.737 0.78 . . . . 0.0 112.785 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -152.65 171.02 18.82 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.32 -144.14 49.03 Favored Glycine 0 C--O 1.253 1.286 0 O-C-N 123.681 0.613 . . . . 0.0 112.968 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -64.69 -34.99 79.6 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.9 0.88 . . . . 0.0 110.63 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -64.56 -34.6 78.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.426 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 23.8 tp -66.51 -42.48 87.29 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.66 -46.83 83.73 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 124.015 0.822 . . . . 0.0 109.581 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 70.7 mm-40 -63.37 -48.77 76.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.074 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.5 t -57.01 -52.63 64.5 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.044 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -69.02 -28.96 67.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.816 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.0 tt0 -64.84 -40.3 94.95 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 85.6 mtt180 -63.37 -35.45 80.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -66.0 -40.6 91.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -65.04 -39.77 93.82 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.388 177.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.1 mm-40 -58.87 -48.66 80.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.903 0.752 . . . . 0.0 109.552 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.41 -50.95 68.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 O-C-N 123.575 0.547 . . . . 0.0 110.93 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.5 t80 . . . . . 0 C--N 1.33 -0.278 0 O-C-N 124.404 1.065 . . . . 0.0 111.645 179.404 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HA ' HE21 ' A' ' 11' ' ' GLN . 29.1 ttpp -67.75 -47.17 70.0 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.01 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -64.82 -32.28 73.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.32 -46.77 85.15 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 47.2 mt-30 -56.13 -55.05 37.77 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.525 0.515 . . . . 0.0 110.718 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.32 -40.75 82.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.711 0.632 . . . . 0.0 111.772 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -65.24 -48.21 74.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.0 mt-30 -63.86 -44.43 93.16 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.051 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 71.0 mtt180 -56.07 -41.61 75.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.957 0.408 . . . . 0.0 111.68 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.58 -45.89 77.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.535 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.6 m -57.41 -36.8 71.8 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.885 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 37.2 mt-30 -73.83 -12.51 60.71 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.045 0.45 . . . . 0.0 111.832 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -101.16 -48.5 4.38 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.174 0.512 . . . . 0.0 110.16 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -80.48 -25.14 38.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.193 0.597 . . . . 0.0 112.593 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' HG3' ' HB2' ' A' ' 29' ' ' CYS . 77.9 mm-40 -124.23 171.76 9.59 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -157.68 157.28 33.24 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.058 0.543 . . . . 0.0 109.581 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.76 -124.98 21.93 Favored Glycine 0 C--N 1.313 -0.713 0 O-C-N 124.889 1.368 . . . . 0.0 114.195 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -60.66 -39.73 89.47 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 123.737 0.815 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.96 -31.17 71.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.402 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.9 tp -67.04 -41.88 85.77 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -61.62 -37.84 85.45 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.406 0.441 . . . . 0.0 111.15 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 48.3 mt-10 -66.67 -47.9 71.04 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.927 0.394 . . . . 0.0 110.005 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 24.4 t -63.24 -52.21 63.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.712 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.9 pt20 -65.7 -28.23 68.91 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.302 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.65 -34.14 77.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 5.8 mmp_? -62.72 -43.67 98.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.6 m -60.97 -43.35 98.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.84 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.36 -42.06 90.69 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 123.636 0.585 . . . . 0.0 110.706 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -62.99 -48.27 79.55 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.6 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.96 -45.68 82.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.7 t80 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.808 175.037 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.445 -0.685 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.72 -48.22 75.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -65.97 -35.5 80.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.306 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -52.71 55.44 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 122.974 0.51 . . . . 0.0 111.233 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 12.3 pt20 -61.51 -41.72 97.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.94 -39.86 83.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.671 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.2 -50.27 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.451 0.3 . . . . 0.0 110.598 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.44 -37.66 88.16 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.51 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 35.5 mmt180 -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 110.426 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.0 mtp180 -63.1 -42.63 99.63 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.767 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -57.3 -36.82 71.56 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.54 -19.41 64.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.301 0.572 . . . . 0.0 111.288 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -91.4 -47.93 7.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 7.8 mm-40 -87.11 -25.15 24.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -173.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -124.08 171.64 9.62 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.03 164.33 38.64 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.34 -129.09 42.97 Favored Glycine 0 C--O 1.246 0.851 0 O-C-N 124.747 1.28 . . . . 0.0 115.183 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -66.92 -36.65 82.73 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -64.47 -31.47 72.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.281 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.83 -43.42 83.78 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.542 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.08 -44.71 87.7 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.741 0.651 . . . . 0.0 109.81 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.91 -44.26 85.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.024 0.827 . . . . 0.0 111.233 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.38 -49.34 75.93 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 25.6 mt-30 -63.96 -33.82 76.58 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.411 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.0 tt0 -60.23 -44.84 94.87 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.484 0.714 . . . . 0.0 109.6 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -57.99 -43.85 86.83 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -60.49 -43.84 96.57 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.074 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 78.5 mt-30 -66.38 -36.05 81.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.776 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.8 mm-40 -60.74 -46.84 88.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.42 -47.26 84.51 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.261 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 C--O 1.207 -1.16 0 O-C-N 123.41 0.443 . . . . 0.0 112.044 179.207 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 t80 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.32 -40.77 86.0 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.478 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -66.23 -35.71 81.14 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.912 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.95 -46.47 89.14 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.366 0.666 . . . . 0.0 110.708 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 48.7 mt-30 -59.3 -49.14 78.97 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.462 0.476 . . . . 0.0 109.999 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mm-40 -58.5 -41.07 84.55 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.194 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 t -63.18 -46.81 85.36 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.12 -44.73 87.78 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.391 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' GLN 0.312 0.0 OUTLIER -63.73 -23.35 67.33 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 177.488 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 82.3 mtp180 -77.52 -45.62 24.91 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.9 m -56.0 -39.3 71.67 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.266 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 15' ' ' ARG . 3.8 pt20 -78.66 -12.29 60.01 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.875 0.369 . . . . 0.0 111.802 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 m -94.65 -45.55 7.32 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.435 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.29 -25.7 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -125.01 168.88 12.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.011 0.434 . . . . 0.0 110.576 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -152.02 169.88 21.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.15 -130.39 50.94 Favored Glycine 0 C--O 1.25 1.121 0 O-C-N 124.199 0.937 . . . . 0.0 113.435 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 56.5 tp60 -73.37 -30.73 63.49 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -60.78 -36.03 77.94 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.763 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.6 tp -66.72 -43.29 84.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.24 -48.74 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.839 0.712 . . . . 0.0 110.798 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 43.0 mt-10 -59.8 -46.27 89.73 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.678 0.611 . . . . 0.0 110.313 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -62.8 -55.84 22.8 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.418 -177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 7.3 pt20 -62.08 -33.75 75.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.98 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 44.3 tt0 -57.18 -45.65 83.53 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 123.498 0.719 . . . . 0.0 110.146 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 94.9 mtt180 -69.01 -34.73 75.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.122 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.5 m -61.61 -36.24 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.185 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.88 -36.63 83.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.173 0.511 . . . . 0.0 110.429 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 67.9 mm-40 -71.82 -41.9 67.67 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.485 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 32' ' ' ARG . 49.4 mm-40 -55.89 -50.6 70.22 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.846 0.716 . . . . 0.0 109.443 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--N 1.324 -0.537 0 C-N-CA 124.264 1.026 . . . . 0.0 111.702 175.749 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 73.1 mmtt -62.06 -45.19 94.64 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -54.67 -42.57 71.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.608 0.567 . . . . 0.0 110.375 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.32 -48.7 80.63 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.076 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 49.0 mt-30 -61.61 -46.07 91.37 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 35.1 mm-40 -55.66 -47.82 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.384 0.428 . . . . 0.0 110.017 175.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 t -57.86 -56.08 26.56 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.9 -41.09 97.79 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.537 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 36.2 mmt180 -66.64 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.757 0.313 . . . . 0.0 111.363 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -69.21 -42.06 76.25 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.5 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.22 -40.42 77.46 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.92 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.1 pt20 -80.11 -12.98 59.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.115 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -89.29 -47.23 8.18 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.922 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.08 -25.13 23.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.2 mm-40 -118.59 161.25 20.35 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.935 -0.478 . . . . 0.0 110.371 -176.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -150.94 172.05 16.29 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.26 50.71 Favored Glycine 0 C--O 1.254 1.373 0 O-C-N 124.087 0.867 . . . . 0.0 112.868 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -74.29 -29.71 61.76 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.6 mmt180 -62.75 -40.3 96.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 14.4 tp -64.48 -46.35 83.41 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.154 175.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.47 -44.36 80.48 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 123.897 0.748 . . . . 0.0 111.41 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.28 -39.75 86.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.7 t -67.07 -48.67 67.52 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.2 pt20 -67.65 -28.96 68.15 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.06 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -60.55 -46.31 90.64 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 20.8 mtp180 -56.87 -50.68 71.75 Favored 'General case' 0 CA--C 1.491 -1.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.522 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -52.7 -46.23 67.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.064 0.853 . . . . 0.0 110.522 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -60.42 -49.63 76.8 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.0 mm-40 -65.09 -51.83 59.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.0 111.245 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 32' ' ' ARG . 50.9 mt-10 -64.57 -39.83 94.46 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.456 -176.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 t80 . . . . . 0 C--O 1.201 -1.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 172.519 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.6 t80 . . . . . 0 N--CA 1.44 -0.972 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -58.83 -43.8 90.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -58.63 -49.71 76.51 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.509 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.99 -49.23 78.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.573 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -52.89 -55.12 25.58 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.039 0.536 . . . . 0.0 111.105 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 25.5 mm-40 -62.95 -47.06 84.85 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.62 -49.72 75.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.548 0.53 . . . . 0.0 111.474 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 46.8 mt-30 -63.62 -43.84 95.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 121.297 -0.161 . . . . 0.0 110.907 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HA ' HE21 ' A' ' 18' ' ' GLN . 24.9 mtm180 -66.91 -35.11 79.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 10.5 mmm180 -61.72 -47.38 85.51 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -56.96 -38.51 73.08 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.108 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.3 mt-30 -68.8 -19.69 64.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 m -104.54 -38.25 6.84 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.968 0.413 . . . . 0.0 111.536 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.54 -24.73 22.83 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.1 mm-40 -125.97 165.94 17.85 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.85 166.53 33.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.05 -125.84 38.61 Favored Glycine 0 C--N 1.317 -0.495 0 O-C-N 124.063 0.852 . . . . 0.0 113.405 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.51 -27.45 66.14 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 122.912 0.485 . . . . 0.0 111.56 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 59.4 mtt180 -74.21 -31.73 62.74 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.237 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 48.1 tp -69.46 -43.41 73.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.267 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 11.3 mm100 -54.25 -53.66 50.65 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.123 0.89 . . . . 0.0 110.613 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 8.8 mm-40 -62.43 -47.67 83.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.953 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.9 t -57.45 -57.43 12.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 123.352 0.407 . . . . 0.0 112.022 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -65.36 -33.09 75.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.667 -176.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 9.0 tt0 -66.5 -36.31 82.41 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.272 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 99.7 mtt180 -64.06 -35.97 82.48 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.165 0.507 . . . . 0.0 109.859 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.3 m -64.78 -42.23 95.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.229 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 53.5 mt-30 -64.34 -36.28 83.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.269 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 34.0 mm-40 -58.15 -51.4 69.89 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.14 -43.8 82.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 C--N 1.318 -0.782 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.276 179.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 69.9 t80 . . . . . 0 N--CA 1.435 -1.197 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 42.8 mtmt -64.63 -40.35 95.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.794 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.63 -27.35 69.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.591 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HG ' ' NE2' ' A' ' 14' ' ' GLN . 42.6 tp -62.74 -48.3 79.82 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.88 -39.05 90.56 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.305 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 9.8 mm-40 -55.06 -51.41 66.42 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.627 0.58 . . . . 0.0 109.888 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -61.6 -47.47 85.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.653 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.55 ' NE2' ' HG ' ' A' ' 10' ' ' LEU . 46.8 mt-30 -64.09 -45.04 90.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.202 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 29.0 mmm180 -61.44 -31.06 70.99 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.372 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -69.03 -44.75 72.08 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.2 m -59.83 -37.16 78.45 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.558 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 90.6 mt-30 -68.17 -32.79 73.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 m -86.0 -47.27 9.74 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.795 0.331 . . . . 0.0 111.608 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.89 -25.54 37.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -121.31 168.06 12.06 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.53 161.65 42.03 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 122.524 0.33 . . . . 0.0 110.175 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.33 -124.61 35.25 Favored Glycine 0 N--CA 1.448 -0.551 0 O-C-N 124.327 1.017 . . . . 0.0 113.579 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.15 -33.51 71.88 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 122.926 0.491 . . . . 0.0 110.412 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.78 -33.07 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.574 0.702 . . . . 0.0 109.501 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 25.9 tp -68.67 -45.64 71.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.87 175.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 14.6 mm100 -53.72 -45.88 70.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.092 0.87 . . . . 0.0 110.749 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 36.5 mm-40 -68.12 -46.11 71.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 t -60.44 -49.83 76.0 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -63.56 -36.8 84.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.026 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.0 tt0 -57.81 -47.33 82.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.55 0.531 . . . . 0.0 109.912 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 24.6 mtm180 -61.83 -41.78 98.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.81 -38.55 91.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.206 0.527 . . . . 0.0 110.507 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.99 -32.5 74.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.181 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.27 -43.78 67.72 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.524 0.73 . . . . 0.0 111.066 175.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 . . . . . 0 C--N 1.322 -0.596 0 O-C-N 123.938 0.774 . . . . 0.0 110.976 176.516 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 . . . . . 0 CA--C 1.508 -0.668 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 20.8 ttpp -65.86 -41.21 91.96 Favored 'General case' 0 C--O 1.193 -1.907 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -54.33 -46.46 72.9 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.32 0.648 . . . . 0.0 110.706 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.66 -45.94 90.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.654 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -63.54 -40.67 97.62 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.659 177.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 75.9 mm-40 -55.91 -49.41 73.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.65 -49.4 77.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.6 mt-30 -64.91 -37.44 87.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.063 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 4.8 mmp_? -60.77 -43.14 98.41 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -62.79 -49.26 75.67 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.449 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.95 -38.5 73.04 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.164 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 60.2 mt-30 -77.63 -12.12 59.94 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 m -99.09 -52.19 3.61 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.394 0.616 . . . . 0.0 110.295 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.48 -13.71 42.38 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 63.2 mm-40 -125.12 155.92 39.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.76 159.05 43.03 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.58 -116.36 3.63 Favored Glycine 0 C--N 1.309 -0.962 0 O-C-N 124.661 1.225 . . . . 0.0 115.131 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -75.42 -31.51 60.41 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.243 0.617 . . . . 0.0 110.459 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -64.11 -37.66 88.24 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.98 -41.57 97.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.822 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.35 -42.89 99.44 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.342 0.401 . . . . 0.0 111.085 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.72 -46.38 82.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.689 0.281 . . . . 0.0 110.832 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HG3' ' A' ' 21' ' ' GLN . 33.8 t -59.91 -54.22 48.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.7 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.51 -28.48 67.86 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.83 -43.67 98.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.32 -41.34 75.84 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.619 0.574 . . . . 0.0 110.25 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.8 m -57.39 -34.42 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.642 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -64.67 -54.2 35.42 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.035 178.212 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.85 -40.81 81.0 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.04 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.05 -40.01 95.35 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 t80 . . . . . 0 C--N 1.298 -1.652 0 C-N-CA 123.377 0.671 . . . . 0.0 111.464 175.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.593 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.6 t80 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 59.7 mtpt -66.51 -44.65 81.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -57.81 -42.74 84.89 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 123.696 0.623 . . . . 0.0 110.034 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 30.6 tp -57.45 -49.01 77.65 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.188 175.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 77.1 mt-30 -54.65 -54.18 44.96 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 123.965 0.79 . . . . 0.0 109.792 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 47.5 mt-10 -55.07 -48.38 73.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.032 0.833 . . . . 0.0 110.226 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -58.5 -55.15 38.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.068 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.14 -37.8 88.57 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.33 -38.91 92.71 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.425 0.155 . . . . 0.0 111.27 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 83.4 mtp180 -65.75 -42.23 91.19 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.899 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.45 -39.22 79.27 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.975 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.7 mt-30 -67.03 -21.34 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 112.02 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -87.32 -54.08 4.49 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 120.949 0.404 . . . . 0.0 110.041 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -82.1 -25.56 34.38 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -124.12 157.52 34.44 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.401 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 3.9 pt20 -149.22 165.54 31.55 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.284 0.634 . . . . 0.0 109.548 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.9 -133.55 52.69 Favored Glycine 0 C--N 1.315 -0.623 0 O-C-N 123.926 0.766 . . . . 0.0 112.979 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.7 -34.62 74.64 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.605 0.762 . . . . 0.0 110.553 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.022 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 59.7 tp -69.4 -45.36 69.43 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.61 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.69 -55.77 15.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.61 -44.64 96.62 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.754 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 13.1 t -64.04 -52.96 56.93 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 123.631 0.582 . . . . 0.0 111.087 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -70.75 -32.18 69.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.011 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.15 -35.79 78.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 36.2 ptt180 -71.87 -29.22 64.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.851 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.73 -39.74 95.05 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.73 0.644 . . . . 0.0 109.654 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -60.53 -44.06 96.49 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.25 0.547 . . . . 0.0 109.72 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -64.44 -45.51 87.14 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.203 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -56.52 -42.55 78.61 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.086 0.469 . . . . 0.0 111.07 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 t80 . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.637 175.411 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.3 t80 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.76 -48.95 72.68 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.205 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -58.84 -39.05 80.14 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.269 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.21 -50.74 72.86 Favored 'General case' 0 C--O 1.25 1.09 0 C-N-CA 122.825 0.45 . . . . 0.0 110.553 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -58.99 -51.08 71.6 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.556 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.89 -33.79 76.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.72 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.5 -49.37 73.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.52 -29.35 65.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.737 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.1 -40.92 95.56 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.3 mmm180 -66.02 -49.87 66.23 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.157 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.7 m -52.74 -39.16 61.87 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 26' ' ' LEU . 13.1 pt20 -82.82 -13.49 56.12 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.996 -176.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -94.16 -36.18 12.17 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 36.4 mt-10 -93.23 -25.53 17.76 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -125.86 166.18 17.35 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.682 0.277 . . . . 0.0 110.593 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -145.34 170.22 16.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.46 -133.09 52.81 Favored Glycine 0 C--N 1.312 -0.772 0 O-C-N 123.97 0.794 . . . . 0.0 113.485 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -67.46 -29.95 69.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.073 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -63.05 -40.42 97.66 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.7 tp -66.41 -44.76 82.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.832 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -53.25 -52.65 58.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 124.163 0.914 . . . . 0.0 111.175 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 29.9 mt-10 -67.86 -41.62 82.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.02 -51.18 71.19 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -64.91 -39.67 93.88 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.765 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 56.0 tt0 -57.97 -45.05 87.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 123.046 0.538 . . . . 0.0 110.514 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 65.1 mtt180 -66.23 -36.51 83.21 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.404 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.36 -38.55 90.42 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 56.0 mt-30 -65.95 -37.82 87.0 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 33.0 mm-40 -59.13 -48.36 81.89 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.25 -42.48 81.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.634 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--O 1.203 -1.39 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.775 175.701 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 65.2 t80 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 120.677 0.275 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.32 -46.03 90.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.33 -30.81 70.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.56 82.14 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.542 0.737 . . . . 0.0 109.992 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 70.6 mt-30 -55.04 -52.76 62.17 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.8 mm-40 -52.96 -49.56 65.84 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.552 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -56.87 -51.82 67.54 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.556 0.535 . . . . 0.0 110.758 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -74.26 -32.53 62.98 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.316 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -66.19 -26.56 67.46 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 121.168 0.509 . . . . 0.0 111.073 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.518 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 23.0 mtp180 -74.96 -45.25 43.47 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -52.43 -41.06 62.93 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.395 0.435 . . . . 0.0 111.381 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 91.5 mt-30 -69.87 -13.78 62.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 0.0 112.13 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -108.32 -47.36 3.54 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.965 0.412 . . . . 0.0 110.629 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 38.3 mt-10 -82.6 -25.16 33.48 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -120.35 160.49 22.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 20.4 pt20 -148.31 164.44 34.02 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 58.5 -128.51 47.79 Favored Glycine 0 C--N 1.305 -1.143 0 O-C-N 123.966 0.791 . . . . 0.0 112.858 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -71.82 -30.43 65.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 27.6 mmm180 -60.15 -39.76 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.737 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 19.4 tp -67.2 -46.56 73.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.5 mm-40 -56.98 -46.04 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.852 0.72 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.06 -45.15 90.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.495 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.75 -55.51 22.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.201 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -59.38 -39.63 83.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.14 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 35.2 tt0 -61.31 -48.84 79.52 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.557 0.536 . . . . 0.0 110.36 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -64.32 -35.21 80.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.8 m -62.11 -42.82 99.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -66.36 -41.14 89.94 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.551 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 30.0 mm-40 -59.86 -43.79 94.5 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.202 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.19 -50.62 73.35 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.471 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--O 1.217 -0.631 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.677 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 30.5 t80 . . . . . 0 N--CA 1.439 -0.996 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -64.45 -43.1 95.32 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -59.59 -45.99 90.27 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 123.916 0.76 . . . . 0.0 109.884 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.36 -48.97 77.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.984 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 48.8 mt-30 -57.8 -51.77 68.21 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.544 0.528 . . . . 0.0 111.953 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.23 -39.11 86.19 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.36 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.93 -52.89 63.63 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.157 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.0 mt-30 -61.36 -45.39 94.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.107 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -57.96 -41.8 83.66 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.426 0.454 . . . . 0.0 111.98 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.49 -46.25 80.44 Favored 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -57.9 -38.9 76.65 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 123.394 0.434 . . . . 0.0 110.926 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 50.3 mt-30 -68.71 -23.72 64.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -96.34 -50.45 4.77 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -78.35 -26.04 46.6 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -123.51 174.45 7.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.94 -0.475 . . . . 0.0 110.421 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -160.41 166.06 29.98 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.66 -118.93 4.59 Favored Glycine 0 C--N 1.311 -0.841 0 O-C-N 125.037 1.461 . . . . 0.0 115.069 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 52.7 mt-30 -65.05 -43.9 90.82 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.716 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -63.0 -33.6 75.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.558 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 46.5 tp -65.16 -55.4 18.87 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.145 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -56.95 -36.37 70.2 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.75 0.656 . . . . 0.0 111.675 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 48.5 mt-10 -66.23 -50.49 63.61 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.256 0.551 . . . . 0.0 109.98 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.3 t -61.21 -55.64 29.82 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.277 1.031 . . . . 0.0 111.248 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 4.1 pt20 -66.12 -26.01 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.568 -176.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.45 -43.83 96.27 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -62.81 -35.76 80.94 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.002 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' GLN . 56.0 m -59.13 -43.05 91.95 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.496 0.498 . . . . 0.0 109.915 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.26 -38.89 91.71 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -66.55 -41.93 87.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.692 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -55.99 -49.04 74.73 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 123.632 0.583 . . . . 0.0 109.569 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 112.183 -179.281 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.7 t80 . . . . . 0 N--CA 1.433 -1.314 0 CA-C-O 120.676 0.274 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HA ' HE21 ' A' ' 11' ' ' GLN . 28.0 ttpp -66.53 -40.65 89.25 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -58.58 -43.99 89.67 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 123.642 0.589 . . . . 0.0 109.63 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.1 tp -57.61 -51.36 69.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 123.485 0.491 . . . . 0.0 111.089 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' A' ' 8' ' ' LYS . 49.4 mt-30 -55.22 -54.3 45.12 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 123.855 0.722 . . . . 0.0 110.085 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 43.1 mt-10 -58.62 -45.35 89.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.741 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.25 -52.23 66.57 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 111.63 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.4 pt20 -68.59 -31.76 71.18 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.723 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -67.11 -39.1 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 4.4 mmp_? -66.1 -40.4 90.75 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.324 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.38 -39.2 75.57 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.3 mt-30 -68.82 -16.78 63.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -98.16 -41.87 7.71 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.889 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.28 -25.45 23.93 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -124.72 173.4 8.58 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -156.12 167.68 29.67 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 122.815 0.446 . . . . 0.0 110.006 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.74 -132.04 47.44 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 124.024 0.827 . . . . 0.0 114.275 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.945 0.498 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -68.25 -27.58 66.47 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.238 0.542 . . . . 0.0 109.791 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.39 -43.74 80.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.116 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -64.06 -40.78 97.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.96 -40.53 87.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.9 t -64.08 -50.03 69.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.509 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.01 -32.05 73.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.28 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 26.6 tt0 -60.25 -39.93 88.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -60.08 -46.26 90.19 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.9 m -60.03 -40.83 90.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.216 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -63.62 -40.25 96.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.847 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.3 mm-40 -62.65 -40.2 96.3 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.239 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -62.25 -46.0 90.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.738 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 C--N 1.305 -1.34 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.579 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.28 -51.89 67.62 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.422 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.01 -44.76 87.45 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.348 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 40.4 tp -55.36 -47.67 75.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 123.685 0.616 . . . . 0.0 111.715 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.32 -42.22 98.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.44 -49.57 77.3 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 42.0 mt-30 -67.47 -36.73 81.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.59 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -62.45 -42.09 99.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.333 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -63.85 -40.67 97.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.581 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.8 -35.77 77.31 Favored 'General case' 0 C--O 1.206 -1.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.3 mt-30 -67.39 -32.58 73.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.959 0.409 . . . . 0.0 111.032 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -77.9 -50.29 12.52 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.05 -25.49 27.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -125.6 168.46 13.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 122.033 -0.417 . . . . 0.0 111.278 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -156.35 166.02 34.64 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 123.356 0.662 . . . . 0.0 109.853 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.15 -137.82 45.7 Favored Glycine 0 C--O 1.242 0.644 0 O-C-N 123.865 0.728 . . . . 0.0 113.255 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -66.09 -33.29 75.45 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.96 0.904 . . . . 0.0 109.841 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -64.37 -31.94 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.47 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.46 -38.78 77.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.935 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.3 -43.76 98.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.51 -49.66 70.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.695 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.7 t -59.98 -51.75 68.32 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.051 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -62.75 -33.27 74.8 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.586 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 37.9 tt0 -60.46 -45.8 92.37 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 34.9 mmt180 -61.2 -34.63 75.39 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.105 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.78 -41.1 96.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.653 0.739 . . . . 0.0 109.352 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -70.94 -33.17 70.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.609 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.8 mm-40 -62.16 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 44.9 mt-10 -60.66 -47.17 87.46 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.072 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.4 t80 . . . . . 0 C--N 1.318 -0.777 0 O-C-N 123.895 0.747 . . . . 0.0 111.264 177.203 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -64.17 -35.2 80.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.6 tp -58.53 -50.01 75.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.167 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 2.0 mp0 -60.55 -43.12 97.56 Favored 'General case' 0 C--O 1.211 -0.945 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.781 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 19.4 mm-40 -50.94 -54.14 26.81 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.468 0.48 . . . . 0.0 110.176 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -62.26 -53.51 54.12 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.625 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.4 pt20 -69.73 -36.13 75.59 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 29.9 mmt180 -68.48 -30.36 69.18 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.875 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 13.7 mmm180 -64.89 -46.73 80.54 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.48 -38.74 69.51 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.616 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 92.7 mt-30 -68.77 -20.66 64.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -101.15 -40.54 7.13 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.32 -25.56 27.08 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 26.0 mm-40 -125.57 159.26 32.53 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 122.209 -0.307 . . . . 0.0 110.316 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.93 155.35 49.26 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLN . . . 43.76 -115.99 1.34 Allowed Glycine 0 N--CA 1.47 0.919 0 O-C-N 124.523 1.14 . . . . 0.0 115.507 174.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -59.68 -44.99 93.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.941 0.897 . . . . 0.0 110.789 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 28.2 mmm180 -61.05 -39.97 91.84 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.405 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.28 -43.42 91.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.404 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 50.6 mt-30 -54.67 -52.99 60.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.81 0.694 . . . . 0.0 110.193 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 41.8 mt-10 -62.93 -46.51 87.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 124.011 0.819 . . . . 0.0 111.186 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.1 -56.33 22.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.121 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 12.1 pt20 -69.5 -28.64 66.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.77 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 23.6 tp60 -61.58 -42.52 98.97 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 98.0 mtt180 -62.7 -38.55 90.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.404 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -63.0 -40.44 97.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.91 176.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 96.6 mt-30 -66.14 -39.79 90.12 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.489 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.4 mm-40 -61.06 -41.79 97.27 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.22 -43.24 99.28 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.098 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.208 -1.081 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.744 177.208 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 66.3 t80 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 111.177 0.066 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -70.64 -32.21 69.44 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -70.21 -36.85 74.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.757 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 27.6 tp -57.61 -47.6 81.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.103 175.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.6 mt-30 -53.02 -49.24 66.66 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.997 0.811 . . . . 0.0 110.621 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.07 -47.43 82.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.972 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.98 -49.44 77.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.008 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.1 pt20 -68.2 -36.25 79.26 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.79 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -42.14 75.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 117.928 0.331 . . . . 0.0 110.406 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -64.71 -48.46 74.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.066 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.1 m -57.19 -38.67 74.0 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 96.6 mt-30 -73.54 -15.32 61.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -99.42 -48.7 4.69 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.305 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.7 -25.14 33.26 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.167 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 21.8 mm-40 -125.17 160.49 29.03 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.1 0.476 . . . . 0.0 110.338 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -151.13 162.32 41.09 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.827 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.17 -116.94 7.46 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 124.523 1.14 . . . . 0.0 114.381 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 50.7 tt0 -70.41 -38.37 74.62 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.461 0.704 . . . . 0.0 110.022 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.4 mmt180 -69.75 -27.98 65.4 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.362 0.601 . . . . 0.0 110.568 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 49.0 tp -68.3 -45.38 73.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.946 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 12.4 pt20 -63.72 -36.45 83.89 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 42.2 mt-10 -66.97 -45.7 76.92 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.79 -55.67 18.27 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.1 pt20 -66.65 -25.36 66.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.869 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.09 -38.54 91.43 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mtm105 -64.28 -35.53 81.13 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.043 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m -65.39 -32.92 74.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.602 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 45.3 mt-30 -69.41 -37.37 77.43 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.43 -52.43 65.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.237 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.03 -41.11 70.94 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.742 0.651 . . . . 0.0 111.787 175.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.471 0.58 0 C-N-CA 123.071 0.549 . . . . 0.0 110.988 177.369 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.5 t80 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.33 -46.46 86.54 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -67.11 -40.91 86.96 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.812 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 2.0 tm? -51.0 -50.36 58.64 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.57 0.748 . . . . 0.0 110.829 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 48.9 mt-30 -57.18 -53.95 52.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 175.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.99 -41.25 82.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.34 -49.42 77.88 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.762 0.825 . . . . 0.0 110.168 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.5 pt20 -71.33 -30.74 66.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.707 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 28.5 mmm180 -62.79 -41.2 99.16 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -61.68 -45.51 93.7 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.751 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.06 -38.18 67.7 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.767 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 22.2 mt-30 -67.03 -25.33 66.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.739 0.304 . . . . 0.0 111.506 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -95.71 -48.36 5.81 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.277 0.561 . . . . 0.0 110.9 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -79.12 -25.08 43.0 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.01 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -125.47 170.46 11.39 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -155.2 164.58 38.62 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.85 -127.06 41.87 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 124.407 1.067 . . . . 0.0 113.81 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.7 tp-100 -66.26 -41.51 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.44 -40.05 71.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.555 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.2 tp -67.75 -46.95 70.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.063 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -57.82 -47.83 81.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.838 0.712 . . . . 0.0 110.454 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 49.4 mt-10 -62.2 -48.98 77.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.411 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.38 -56.04 26.96 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.248 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -64.75 -36.66 85.02 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 36.0 tt0 -68.96 -38.73 79.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -67.99 -27.62 66.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.184 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 74.0 m -66.37 -36.49 83.0 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.0 -36.73 75.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.592 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.2 mm-40 -60.87 -43.53 98.27 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 52.6 mm-40 -55.0 -56.19 22.47 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.822 175.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 t80 . . . . . 0 C--O 1.243 0.754 0 O-C-N 123.988 0.805 . . . . 0.0 112.827 -178.365 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--O 1.222 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -63.95 -52.01 61.73 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -67.33 -35.01 78.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.877 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 37.9 tp -64.67 -50.05 68.57 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.94 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.11 -46.71 88.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.462 0.477 . . . . 0.0 111.547 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.98 -42.63 99.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.919 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.6 -51.7 57.73 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.661 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 7.8 pt20 -67.42 -32.84 73.99 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.925 -0.484 . . . . 0.0 111.596 -178.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HA ' HE21 ' A' ' 18' ' ' GLN . 83.9 mtt180 -68.99 -27.59 65.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 120.925 0.393 . . . . 0.0 112.052 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . 30.9 mtp180 -70.26 -45.48 66.32 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.101 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.3 m -55.41 -40.94 72.06 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.639 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.0 mt-30 -69.39 -18.7 63.79 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.062 0.458 . . . . 0.0 111.952 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -99.58 -52.8 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' ' 16' ' ' ARG . 39.0 mt-10 -78.43 -25.27 45.95 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.165 0.586 . . . . 0.0 112.152 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -122.3 175.02 6.63 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -163.37 170.53 17.38 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.37 -133.04 48.19 Favored Glycine 0 C--O 1.252 1.246 0 O-C-N 124.211 0.945 . . . . 0.0 113.381 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.6 tp-100 -69.54 -37.15 76.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.63 -34.68 73.1 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.916 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 24.5 tp -66.18 -45.62 80.21 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.99 -42.92 99.35 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.97 0.794 . . . . 0.0 110.334 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 43.6 mt-10 -62.99 -49.25 75.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.078 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 t -60.85 -54.05 49.9 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.503 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 10.2 pt20 -63.01 -31.88 73.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp60 -65.76 -35.28 80.28 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.56 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmm180 -67.34 -32.29 73.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 109.745 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 59.1 m -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.257 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.63 -30.48 68.21 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.102 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.3 mm-40 -61.52 -44.75 96.51 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 20.2 mm-40 -59.09 -45.59 90.44 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.608 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.217 -0.657 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.789 176.446 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.0 t80 . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.01 -48.03 83.4 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.11 -41.01 97.41 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.391 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 25.9 tp -55.97 -48.08 76.46 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.42 0.45 . . . . 0.0 111.018 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.32 -47.9 80.34 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 123.606 0.567 . . . . 0.0 110.918 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.1 mm-40 -64.1 -45.17 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -59.02 -51.96 67.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 123.548 0.53 . . . . 0.0 110.709 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.0 pt20 -64.37 -35.86 82.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.578 ' HA ' HE21 ' A' ' 18' ' ' GLN 0.269 5.7 ppt_? -71.07 -28.45 64.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.385 176.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 49.1 mtp180 -66.62 -44.59 81.64 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.61 -38.15 69.08 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.519 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.578 HE21 ' HA ' ' A' ' 15' ' ' ARG . 48.6 mt-30 -69.46 -14.14 62.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.1 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -105.47 -46.38 4.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.443 0.639 . . . . 0.0 110.489 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.61 -25.79 41.37 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -126.45 176.31 7.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 27.1 pt20 -164.69 170.22 15.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.74 -137.69 48.49 Favored Glycine 0 C--O 1.251 1.165 0 O-C-N 123.362 0.414 . . . . 0.0 112.58 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.68 -34.34 77.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 28.5 mmm180 -57.05 -41.0 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.166 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.2 tp -67.6 -44.99 76.79 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.578 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.28 -48.98 78.73 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 124.302 1.001 . . . . 0.0 110.226 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 23.3 mm-40 -57.86 -54.36 47.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 O-C-N 123.605 0.566 . . . . 0.0 110.875 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 t -55.58 -54.97 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.75 0.657 . . . . 0.0 111.792 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 9.1 pt20 -63.05 -36.78 84.72 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.845 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.7 tp-100 -64.69 -39.65 94.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 15.5 mmm180 -65.87 -40.17 91.39 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.345 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.21 -39.55 83.03 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.16 0.505 . . . . 0.0 109.768 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -65.97 -36.43 83.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.031 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -70.97 -40.31 72.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.78 -42.27 92.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.984 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.315 -0.918 0 C-N-CA 123.524 0.73 . . . . 0.0 111.383 175.37 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--O 1.238 0.47 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.38 144.28 16.13 Favored Glycine 0 N--CA 1.422 -2.239 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.9 175.29 11.37 Favored 'Trans proline' 0 C--O 1.247 0.962 0 C-N-CA 121.948 1.765 . . . . 0.0 110.257 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.51 161.38 31.12 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.4 pttm -67.46 -28.73 68.11 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.734 0.778 . . . . 0.0 109.498 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -78.01 -34.14 50.9 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 38.5 ttpt -61.65 -45.48 93.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 29.0 mmm180 -56.2 -47.57 78.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.57 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.4 tp -57.83 -47.81 81.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.596 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.524 0.515 . . . . 0.0 111.211 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.56 -52.95 63.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.5 -37.08 85.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -59.71 -44.92 93.52 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 118.095 0.407 . . . . 0.0 110.583 175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -61.45 -48.88 79.13 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 123.711 0.632 . . . . 0.0 110.98 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.4 m -54.14 -38.32 65.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.512 0.508 . . . . 0.0 112.251 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.8 mt-30 -69.66 -16.26 63.33 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -110.15 -35.42 6.11 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.2 0.524 . . . . 0.0 110.985 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.45 -23.28 19.2 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.36 163.7 22.0 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.75 164.77 37.74 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 122.894 0.478 . . . . 0.0 109.82 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.27 -130.15 46.52 Favored Glycine 0 C--O 1.254 1.365 0 O-C-N 123.852 0.72 . . . . 0.0 112.859 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.0 tp-100 -61.31 -44.28 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.822 0.849 . . . . 0.0 108.886 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 21.5 mmm180 -57.7 -35.48 70.69 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.934 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.4 tp -68.86 -50.84 46.42 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.853 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.46 -35.26 80.35 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 123.537 0.523 . . . . 0.0 111.539 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 44.1 mt-10 -73.25 -41.05 64.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.503 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ARG . 32.7 t -59.1 -53.85 53.7 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.44 -28.92 70.3 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.75 -39.28 76.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 47.9 mtm180 -63.47 -37.49 87.48 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.7 m -59.49 -43.34 93.32 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.253 0.549 . . . . 0.0 109.544 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.7 -36.17 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.325 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -69.66 -44.47 70.44 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 36.9 mt-10 -60.42 -43.23 96.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.43 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -53.23 -41.37 65.34 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 123.32 0.648 . . . . 0.0 110.845 175.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -72.87 -34.25 66.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.821 0.82 . . . . 0.0 110.074 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -74.65 -24.22 58.79 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.4 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.6 mt-10 -75.4 -24.19 57.13 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 120.952 0.406 . . . . 0.0 110.403 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -81.39 -31.66 33.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.44 72.52 2.34 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 173.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.05 109.93 0.74 Allowed 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 124.508 1.123 . . . . 0.0 112.208 -171.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -80.31 -30.7 38.2 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.311 0.577 . . . . 0.0 109.49 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.37 -59.84 2.14 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.598 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.79 101.42 2.53 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.34 -13.58 13.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.381 1.086 . . . . 0.0 110.315 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -125.46 5.57 7.63 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 . . . . . 0 N--CA 1.424 -1.748 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -174.874 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.932 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.23 63.85 4.87 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 123.971 0.795 . . . . 0.0 113.78 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.39 168.96 17.76 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.145 1.897 . . . . 0.0 109.611 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -92.73 162.67 14.04 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -70.8 -38.34 73.32 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -68.45 -28.45 67.06 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.698 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.602 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.0 t80 -72.64 -33.35 66.57 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.083 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.86 -46.4 85.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 0.0 109.899 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -61.72 -36.51 81.17 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.087 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.62 -48.1 80.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.724 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.5 mt-30 -54.94 -51.85 64.81 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 123.688 0.617 . . . . 0.0 109.733 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 19.3 mm-40 -55.16 -50.64 68.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.199 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.1 t -61.12 -47.62 85.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.628 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 43.7 mt-30 -62.96 -44.63 95.53 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.844 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -63.38 -36.64 84.37 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 80.0 mtp180 -64.33 -40.99 96.98 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.8 m -63.39 -37.52 87.6 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.757 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 23.2 mt-30 -67.03 -23.74 65.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.781 0.324 . . . . 0.0 111.142 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -85.13 -55.07 4.23 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.413 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.8 -22.77 39.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -125.17 160.41 29.22 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.737 0.78 . . . . 0.0 112.785 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -152.65 171.02 18.82 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.32 -144.14 49.03 Favored Glycine 0 C--O 1.253 1.286 0 O-C-N 123.681 0.613 . . . . 0.0 112.968 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -64.69 -34.99 79.6 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.9 0.88 . . . . 0.0 110.63 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -64.56 -34.6 78.62 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.426 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 23.8 tp -66.51 -42.48 87.29 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.66 -46.83 83.73 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 124.015 0.822 . . . . 0.0 109.581 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 70.7 mm-40 -63.37 -48.77 76.53 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.074 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.5 t -57.01 -52.63 64.5 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.044 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -69.02 -28.96 67.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.816 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.0 tt0 -64.84 -40.3 94.95 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 85.6 mtt180 -63.37 -35.45 80.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.354 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -66.0 -40.6 91.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -65.04 -39.77 93.82 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.388 177.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.1 mm-40 -58.87 -48.66 80.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 123.903 0.752 . . . . 0.0 109.552 176.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.41 -50.95 68.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 O-C-N 123.575 0.547 . . . . 0.0 110.93 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.593 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 63.5 t80 -54.12 -53.39 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.404 1.065 . . . . 0.0 111.645 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 97.9 mt-30 -56.04 -46.64 78.79 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 123.575 0.547 . . . . 0.0 110.948 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.19 -43.11 78.85 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.41 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.27 -8.01 55.48 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.639 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 37' ' ' TYR . 60.9 mtpt -67.52 -36.06 80.3 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.11 -95.9 2.42 Favored Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -127.29 110.38 12.77 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -73.51 -49.57 25.91 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -142.92 94.83 2.68 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.37 -154.88 8.87 Favored Glycine 0 N--CA 1.417 -2.604 0 C-N-CA 119.514 -1.327 . . . . 0.0 112.77 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -110.52 162.14 15.0 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -89.06 0.35 56.77 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 CA--C 1.503 -0.863 0 C-N-CA 125.433 1.493 . . . . 0.0 110.748 179.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.32 85.79 0.22 Allowed Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.28 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.52 162.46 16.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.077 1.851 . . . . 0.0 111.344 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.54 160.68 14.17 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.11 -45.23 70.73 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.974 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.438 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 15.2 m -70.25 -32.66 70.6 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -77.42 -30.34 53.43 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HA ' HE21 ' A' ' 11' ' ' GLN . 29.1 ttpp -67.75 -47.17 70.0 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.01 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 6' ' ' SER . 16.9 ptm180 -64.82 -32.28 73.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.32 -46.77 85.15 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 47.2 mt-30 -56.13 -55.05 37.77 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.525 0.515 . . . . 0.0 110.718 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.32 -40.75 82.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.711 0.632 . . . . 0.0 111.772 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -65.24 -48.21 74.07 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.0 mt-30 -63.86 -44.43 93.16 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.051 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 71.0 mtt180 -56.07 -41.61 75.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.957 0.408 . . . . 0.0 111.68 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.58 -45.89 77.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.535 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.6 m -57.41 -36.8 71.8 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.885 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 37.2 mt-30 -73.83 -12.51 60.71 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.045 0.45 . . . . 0.0 111.832 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -101.16 -48.5 4.38 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.174 0.512 . . . . 0.0 110.16 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -80.48 -25.14 38.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.193 0.597 . . . . 0.0 112.593 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' HG3' ' HB2' ' A' ' 29' ' ' CYS . 77.9 mm-40 -124.23 171.76 9.59 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -157.68 157.28 33.24 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.058 0.543 . . . . 0.0 109.581 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.76 -124.98 21.93 Favored Glycine 0 C--N 1.313 -0.713 0 O-C-N 124.889 1.368 . . . . 0.0 114.195 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -60.66 -39.73 89.47 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 123.737 0.815 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.96 -31.17 71.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.402 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.9 tp -67.04 -41.88 85.77 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -61.62 -37.84 85.45 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.406 0.441 . . . . 0.0 111.15 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 48.3 mt-10 -66.67 -47.9 71.04 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.927 0.394 . . . . 0.0 110.005 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' HB2' ' HG3' ' A' ' 21' ' ' GLN . 24.4 t -63.24 -52.21 63.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.712 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.9 pt20 -65.7 -28.23 68.91 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.302 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.65 -34.14 77.21 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 5.8 mmp_? -62.72 -43.67 98.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.6 m -60.97 -43.35 98.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.84 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.36 -42.06 90.69 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 123.636 0.585 . . . . 0.0 110.706 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 30.4 mm-40 -62.99 -48.27 79.55 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.6 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.96 -45.68 82.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -52.02 -50.0 62.27 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.808 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.96 -33.12 73.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.874 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 86.0 mtt180 -70.55 -15.61 62.79 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' OG ' ' A' ' 6' ' ' SER . 31.3 mt-10 -86.45 -10.3 54.49 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.492 -1.283 . . . . 0.0 111.52 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -88.78 1.73 54.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 122.19 0.995 . . . . 0.0 108.7 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.41 -121.79 1.06 Allowed Glycine 0 N--CA 1.426 -1.986 0 N-CA-C 106.843 -2.503 . . . . 0.0 106.843 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.423 ' OE1' ' HB ' ' A' ' 48' ' ' THR . 98.4 mt-30 -137.43 150.96 48.02 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 117.561 0.681 . . . . 0.0 109.759 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -84.1 -38.97 20.08 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -68.63 163.15 24.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.588 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 32.41 3.83 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.17 11.19 39.95 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.238 0.542 . . . . 0.0 110.729 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.423 ' HB ' ' OE1' ' A' ' 43' ' ' GLN . 59.9 m -145.14 -44.64 0.22 Allowed 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.775 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--N 1.307 -1.265 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.537 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.93 -155.67 19.07 Favored Glycine 0 C--N 1.317 -0.509 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -61.43 129.06 26.74 Favored 'Trans proline' 0 C--O 1.25 1.093 0 C-N-CA 122.26 1.974 . . . . 0.0 109.901 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -89.01 160.84 16.9 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.806 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.37 -46.0 68.01 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -66.98 -40.24 87.36 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.074 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -77.46 -32.14 54.25 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.036 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.72 -48.22 75.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -65.97 -35.5 80.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.306 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -52.71 55.44 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 122.974 0.51 . . . . 0.0 111.233 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 12.3 pt20 -61.51 -41.72 97.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.94 -39.86 83.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.671 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.2 -50.27 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.451 0.3 . . . . 0.0 110.598 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.44 -37.66 88.16 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.51 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 35.5 mmt180 -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.991 0.424 . . . . 0.0 110.426 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.0 mtp180 -63.1 -42.63 99.63 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.767 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -57.3 -36.82 71.56 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.54 -19.41 64.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.301 0.572 . . . . 0.0 111.288 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -91.4 -47.93 7.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 7.8 mm-40 -87.11 -25.15 24.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -173.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -124.08 171.64 9.62 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.03 164.33 38.64 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.34 -129.09 42.97 Favored Glycine 0 C--O 1.246 0.851 0 O-C-N 124.747 1.28 . . . . 0.0 115.183 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -66.92 -36.65 82.73 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -64.47 -31.47 72.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.281 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.83 -43.42 83.78 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.542 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.08 -44.71 87.7 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.741 0.651 . . . . 0.0 109.81 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.91 -44.26 85.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.024 0.827 . . . . 0.0 111.233 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.38 -49.34 75.93 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 25.6 mt-30 -63.96 -33.82 76.58 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.411 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.0 tt0 -60.23 -44.84 94.87 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.484 0.714 . . . . 0.0 109.6 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -57.99 -43.85 86.83 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -60.49 -43.84 96.57 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.074 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 78.5 mt-30 -66.38 -36.05 81.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.776 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 32.8 mm-40 -60.74 -46.84 88.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.42 -47.26 84.51 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.261 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -56.42 -37.83 70.74 Favored 'General case' 0 C--O 1.207 -1.16 0 O-C-N 123.41 0.443 . . . . 0.0 112.044 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -69.3 -31.76 70.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.085 0.469 . . . . 0.0 111.718 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -81.96 -46.64 13.73 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 122.04 0.924 . . . . 0.0 110.337 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -97.5 19.09 13.95 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.164 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -29.34 70.09 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.641 0.734 . . . . 0.0 110.675 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.15 138.09 8.59 Favored Glycine 0 N--CA 1.409 -3.163 0 N-CA-C 106.069 -2.812 . . . . 0.0 106.069 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -78.59 83.28 4.78 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.962 0.886 . . . . 0.0 110.523 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -101.06 -38.52 8.13 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.805 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -75.38 -36.02 60.99 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.8 131.54 16.06 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.65 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -85.83 150.07 24.8 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.4 m -77.2 86.61 3.65 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 t30 . . . . . 0 C--N 1.311 -1.107 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.305 -178.546 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 C--O 1.246 0.869 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.23 -176.25 26.59 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.63 153.46 34.22 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 122.254 1.969 . . . . 0.0 111.713 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -79.59 150.26 31.1 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.25 -47.6 84.74 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 m -66.08 -24.71 66.76 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.084 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -75.45 -35.77 60.84 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.32 -40.77 86.0 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.478 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -66.23 -35.71 81.14 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.912 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.95 -46.47 89.14 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.366 0.666 . . . . 0.0 110.708 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 48.7 mt-30 -59.3 -49.14 78.97 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.462 0.476 . . . . 0.0 109.999 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mm-40 -58.5 -41.07 84.55 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.194 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 t -63.18 -46.81 85.36 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.12 -44.73 87.78 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.391 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' GLN 0.312 0.0 OUTLIER -63.73 -23.35 67.33 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 177.488 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 82.3 mtp180 -77.52 -45.62 24.91 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.9 m -56.0 -39.3 71.67 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.266 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 15' ' ' ARG . 3.8 pt20 -78.66 -12.29 60.01 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.875 0.369 . . . . 0.0 111.802 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 m -94.65 -45.55 7.32 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.435 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.29 -25.7 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -125.01 168.88 12.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.011 0.434 . . . . 0.0 110.576 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -152.02 169.88 21.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.15 -130.39 50.94 Favored Glycine 0 C--O 1.25 1.121 0 O-C-N 124.199 0.937 . . . . 0.0 113.435 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 56.5 tp60 -73.37 -30.73 63.49 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -60.78 -36.03 77.94 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.763 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.6 tp -66.72 -43.29 84.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.24 -48.74 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.839 0.712 . . . . 0.0 110.798 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 43.0 mt-10 -59.8 -46.27 89.73 Favored 'General case' 0 C--O 1.225 -0.228 0 O-C-N 123.678 0.611 . . . . 0.0 110.313 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -62.8 -55.84 22.8 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.418 -177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 7.3 pt20 -62.08 -33.75 75.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.98 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 44.3 tt0 -57.18 -45.65 83.53 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 123.498 0.719 . . . . 0.0 110.146 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 94.9 mtt180 -69.01 -34.73 75.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.122 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.5 m -61.61 -36.24 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.185 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.88 -36.63 83.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.173 0.511 . . . . 0.0 110.429 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 67.9 mm-40 -71.82 -41.9 67.67 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.485 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 32' ' ' ARG . 49.4 mm-40 -55.89 -50.6 70.22 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.846 0.716 . . . . 0.0 109.443 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -52.83 -49.81 64.97 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 124.264 1.026 . . . . 0.0 111.702 175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.15 -39.84 93.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.574 0.226 . . . . 0.0 111.283 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.01 -18.58 59.22 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -75.41 -32.6 60.8 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.906 175.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -84.07 -42.48 16.08 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.42 -115.73 5.22 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.49 170.13 11.61 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -94.91 -6.8 41.79 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.126 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -72.8 115.71 12.42 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.94 -61.27 0.43 Allowed Glycine 0 C--N 1.3 -1.432 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.72 16.15 8.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.957 0.884 . . . . 0.0 110.503 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -19.35 65.78 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.421 173.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 . . . . . 0 N--CA 1.427 -1.614 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 CA--C 1.5 -0.97 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.02 102.86 2.3 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.59 162.21 40.35 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.125 1.884 . . . . 0.0 113.84 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.64 165.13 15.4 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.677 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -57.79 -37.37 73.61 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 125.191 1.396 . . . . 0.0 110.786 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -65.83 -36.16 82.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.389 0.614 . . . . 0.0 109.815 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -76.94 -32.09 57.1 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 73.1 mmtt -62.06 -45.19 94.64 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 173.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -54.67 -42.57 71.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.608 0.567 . . . . 0.0 110.375 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.32 -48.7 80.63 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.076 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 49.0 mt-30 -61.61 -46.07 91.37 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 35.1 mm-40 -55.66 -47.82 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.384 0.428 . . . . 0.0 110.017 175.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.2 t -57.86 -56.08 26.56 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.412 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.9 -41.09 97.79 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.537 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 36.2 mmt180 -66.64 -35.83 81.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.757 0.313 . . . . 0.0 111.363 179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -69.21 -42.06 76.25 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.5 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.6 m -57.22 -40.42 77.46 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.92 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.1 pt20 -80.11 -12.98 59.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.115 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -89.29 -47.23 8.18 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.922 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.08 -25.13 23.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.2 mm-40 -118.59 161.25 20.35 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.935 -0.478 . . . . 0.0 110.371 -176.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -150.94 172.05 16.29 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.26 50.71 Favored Glycine 0 C--O 1.254 1.373 0 O-C-N 124.087 0.867 . . . . 0.0 112.868 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -74.29 -29.71 61.76 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.6 mmt180 -62.75 -40.3 96.83 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 14.4 tp -64.48 -46.35 83.41 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.154 175.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -56.47 -44.36 80.48 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 123.897 0.748 . . . . 0.0 111.41 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -67.28 -39.75 86.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.7 t -67.07 -48.67 67.52 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.2 pt20 -67.65 -28.96 68.15 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.06 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -60.55 -46.31 90.64 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 20.8 mtp180 -56.87 -50.68 71.75 Favored 'General case' 0 CA--C 1.491 -1.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.522 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -52.7 -46.23 67.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.064 0.853 . . . . 0.0 110.522 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -60.42 -49.63 76.8 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.0 mm-40 -65.09 -51.83 59.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.0 111.245 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 32' ' ' ARG . 50.9 mt-10 -64.57 -39.83 94.46 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.456 -176.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -57.39 -40.86 79.14 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.16 -25.27 64.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.406 0.622 . . . . 0.0 111.162 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -77.07 -31.96 56.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.131 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 45.6 mt-10 -118.94 31.49 6.62 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -66.82 -45.55 77.96 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 58.08 0.69 Allowed Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.746 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 40' ' ' GLU . 14.1 mm100 -77.47 151.64 34.56 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.922 0.391 . . . . 0.0 110.008 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -86.02 22.31 1.75 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.478 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -91.1 -35.71 14.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.05 166.92 22.52 Favored Glycine 0 N--CA 1.429 -1.83 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -86.61 152.65 22.41 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 116.885 0.343 . . . . 0.0 110.46 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 t -98.06 -5.89 32.94 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.423 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.239 0.535 0 CA-C-O 120.422 0.154 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.59 144.91 17.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 108.497 -1.841 . . . . 0.0 108.497 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.36 103.77 1.15 Allowed 'Trans proline' 0 CA--C 1.507 -0.853 0 C-N-CA 122.923 2.415 . . . . 0.0 115.864 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 3.6 m-20 -102.02 131.89 48.19 Favored 'General case' 0 C--N 1.264 -3.113 0 CA-C-N 113.355 -1.748 . . . . 0.0 107.799 170.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -67.22 -36.78 82.42 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.345 0.593 . . . . 0.0 111.246 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -71.06 -31.33 67.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.17 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -79.89 -29.43 39.9 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 30.1 mmmt -58.83 -43.8 90.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -58.63 -49.71 76.51 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.509 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.99 -49.23 78.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.573 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -52.89 -55.12 25.58 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.039 0.536 . . . . 0.0 111.105 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 25.5 mm-40 -62.95 -47.06 84.85 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.62 -49.72 75.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.548 0.53 . . . . 0.0 111.474 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 46.8 mt-30 -63.62 -43.84 95.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 121.297 -0.161 . . . . 0.0 110.907 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HA ' HE21 ' A' ' 18' ' ' GLN . 24.9 mtm180 -66.91 -35.11 79.26 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 10.5 mmm180 -61.72 -47.38 85.51 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -56.96 -38.51 73.08 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.108 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.3 mt-30 -68.8 -19.69 64.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 m -104.54 -38.25 6.84 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.968 0.413 . . . . 0.0 111.536 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.54 -24.73 22.83 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 24.1 mm-40 -125.97 165.94 17.85 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.85 166.53 33.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.05 -125.84 38.61 Favored Glycine 0 C--N 1.317 -0.495 0 O-C-N 124.063 0.852 . . . . 0.0 113.405 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.51 -27.45 66.14 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 122.912 0.485 . . . . 0.0 111.56 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 59.4 mtt180 -74.21 -31.73 62.74 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.237 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 48.1 tp -69.46 -43.41 73.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.267 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 11.3 mm100 -54.25 -53.66 50.65 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.123 0.89 . . . . 0.0 110.613 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 8.8 mm-40 -62.43 -47.67 83.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.953 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.9 t -57.45 -57.43 12.71 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 123.352 0.407 . . . . 0.0 112.022 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -65.36 -33.09 75.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.667 -176.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 9.0 tt0 -66.5 -36.31 82.41 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.272 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 99.7 mtt180 -64.06 -35.97 82.48 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.165 0.507 . . . . 0.0 109.859 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.3 m -64.78 -42.23 95.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.229 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 53.5 mt-30 -64.34 -36.28 83.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.269 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 34.0 mm-40 -58.15 -51.4 69.89 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.14 -43.8 82.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' HD2' ' A' ' 41' ' ' LYS . 82.1 t80 -60.9 -45.05 96.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.276 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -62.53 -39.49 93.74 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.089 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 78.3 mtp180 -63.82 -35.21 79.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.734 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -82.97 -20.77 34.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 54.3 mtpt -69.48 -28.55 66.17 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.45 -178.19 44.17 Favored Glycine 0 N--CA 1.416 -2.671 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 13.8 mm-40 -106.49 119.86 40.39 Favored 'General case' 0 C--N 1.279 -2.494 0 O-C-N 122.544 -0.386 . . . . 0.0 110.474 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -71.54 -32.8 68.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 80.8 mt-30 -134.92 136.26 42.17 Favored 'General case' 0 N--CA 1.408 -2.539 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 171.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.55 170.94 24.75 Favored Glycine 0 C--N 1.288 -2.134 0 C-N-CA 119.857 -1.163 . . . . 0.0 111.86 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.92 104.53 6.31 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.3 t -101.81 1.9 37.69 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.637 0.732 . . . . 0.0 109.526 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.4 t30 . . . . . 0 C--N 1.311 -1.104 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.097 -178.714 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 . . . . . 0 CA--C 1.5 -0.975 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.42 -140.96 27.06 Favored Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 120.222 -0.989 . . . . 0.0 110.669 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.27 -173.64 1.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 122.29 1.993 . . . . 0.0 110.424 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.86 143.88 56.6 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -60.77 -40.24 91.79 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -57.19 -37.67 72.52 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.091 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 69.9 t80 -72.47 -42.05 65.37 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.849 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 42.8 mtmt -64.63 -40.35 95.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.794 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.63 -27.35 69.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.591 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HG ' ' NE2' ' A' ' 14' ' ' GLN . 42.6 tp -62.74 -48.3 79.82 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.88 -39.05 90.56 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.305 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 9.8 mm-40 -55.06 -51.41 66.42 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.627 0.58 . . . . 0.0 109.888 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -61.6 -47.47 85.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.653 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.55 ' NE2' ' HG ' ' A' ' 10' ' ' LEU . 46.8 mt-30 -64.09 -45.04 90.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.202 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 29.0 mmm180 -61.44 -31.06 70.99 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.372 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -69.03 -44.75 72.08 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.2 m -59.83 -37.16 78.45 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.558 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 90.6 mt-30 -68.17 -32.79 73.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 m -86.0 -47.27 9.74 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.795 0.331 . . . . 0.0 111.608 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -80.89 -25.54 37.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -121.31 168.06 12.06 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.53 161.65 42.03 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 122.524 0.33 . . . . 0.0 110.175 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 56.33 -124.61 35.25 Favored Glycine 0 N--CA 1.448 -0.551 0 O-C-N 124.327 1.017 . . . . 0.0 113.579 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.15 -33.51 71.88 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 122.926 0.491 . . . . 0.0 110.412 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.78 -33.07 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.574 0.702 . . . . 0.0 109.501 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 25.9 tp -68.67 -45.64 71.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.87 175.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 14.6 mm100 -53.72 -45.88 70.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.092 0.87 . . . . 0.0 110.749 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 36.5 mm-40 -68.12 -46.11 71.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.8 t -60.44 -49.83 76.0 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -63.56 -36.8 84.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.026 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.0 tt0 -57.81 -47.33 82.93 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.55 0.531 . . . . 0.0 109.912 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 24.6 mtm180 -61.83 -41.78 98.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.8 m -62.81 -38.55 91.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.206 0.527 . . . . 0.0 110.507 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.99 -32.5 74.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.181 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -73.32 -40.72 64.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.27 -43.78 67.72 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.524 0.73 . . . . 0.0 111.066 175.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 70.6 t80 -56.98 -46.5 82.17 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.938 0.774 . . . . 0.0 110.976 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.85 -31.02 71.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.924 0.392 . . . . 0.0 111.312 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -71.03 -32.6 69.39 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.159 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -75.65 -31.92 60.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.289 0.566 . . . . 0.0 110.097 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 37' ' ' TYR . 32.1 mmmt -74.12 -15.25 61.05 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.92 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.54 -165.89 22.68 Favored Glycine 0 N--CA 1.429 -1.787 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -132.87 174.84 9.91 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -70.99 -35.19 72.0 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 172.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.99 112.97 3.19 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 113.667 -1.606 . . . . 0.0 107.255 171.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.88 2.69 Favored Glycine 0 C--N 1.283 -2.378 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -175.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.89 -18.5 23.68 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 121.902 0.858 . . . . 0.0 109.806 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.9 m -76.66 -66.21 0.84 Allowed 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 114.046 -1.433 . . . . 0.0 110.092 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.547 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 120.754 0.311 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.79 -178.05 42.93 Favored Glycine 0 N--CA 1.418 -2.555 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.98 -175.84 2.2 Favored 'Trans proline' 0 C--O 1.257 1.449 0 C-N-CA 122.686 2.258 . . . . 0.0 112.171 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.19 147.33 48.41 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -70.31 -28.67 65.35 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.093 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 10.7 m -67.49 -36.18 80.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.503 174.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.75 -35.2 67.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 20.8 ttpp -65.86 -41.21 91.96 Favored 'General case' 0 C--O 1.193 -1.907 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HD3' ' OE1' ' A' ' 45' ' ' GLN . 19.4 mmm180 -54.33 -46.46 72.9 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.32 0.648 . . . . 0.0 110.706 174.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.66 -45.94 90.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.654 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -63.54 -40.67 97.62 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.659 177.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 75.9 mm-40 -55.91 -49.41 73.53 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.65 -49.4 77.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 47.6 mt-30 -64.91 -37.44 87.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.063 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 4.8 mmp_? -60.77 -43.14 98.41 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -62.79 -49.26 75.67 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.449 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.95 -38.5 73.04 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.164 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 60.2 mt-30 -77.63 -12.12 59.94 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.4 m -99.09 -52.19 3.61 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.394 0.616 . . . . 0.0 110.295 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.48 -13.71 42.38 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 63.2 mm-40 -125.12 155.92 39.13 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -177.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.76 159.05 43.03 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.58 -116.36 3.63 Favored Glycine 0 C--N 1.309 -0.962 0 O-C-N 124.661 1.225 . . . . 0.0 115.131 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -75.42 -31.51 60.41 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.243 0.617 . . . . 0.0 110.459 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -64.11 -37.66 88.24 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.98 -41.57 97.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.822 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.35 -42.89 99.44 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.342 0.401 . . . . 0.0 111.085 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.72 -46.38 82.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.689 0.281 . . . . 0.0 110.832 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HG3' ' A' ' 21' ' ' GLN . 33.8 t -59.91 -54.22 48.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.7 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.51 -28.48 67.86 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.83 -43.67 98.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.32 -41.34 75.84 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.619 0.574 . . . . 0.0 110.25 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.8 m -57.39 -34.42 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.642 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -64.67 -54.2 35.42 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.035 178.212 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.85 -40.81 81.0 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.04 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 36.4 mt-10 -64.05 -40.01 95.35 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.9 -32.22 65.68 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 123.377 0.671 . . . . 0.0 111.464 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -77.14 -28.43 54.22 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.898 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 2.5 ptm180 -88.37 -13.37 40.8 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.491 0.662 . . . . 0.0 110.094 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -115.05 33.42 5.43 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -64.91 -32.96 74.92 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.433 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.6 -157.52 27.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.98 78.98 9.48 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.356 1.074 . . . . 0.0 109.642 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -58.92 -37.66 77.18 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.885 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' OE1' ' HD3' ' A' ' 9' ' ' ARG . 46.3 mt-30 -104.45 13.14 32.41 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.04 -151.8 39.38 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 105.937 -2.865 . . . . 0.0 105.937 -167.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-N 118.671 1.236 . . . . 0.0 109.226 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -54.74 -37.77 66.31 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 124.259 1.023 . . . . 0.0 111.16 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.307 -1.239 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.909 -176.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 . . . . . 0 CA--C 1.499 -1.012 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.12 135.55 14.4 Favored Glycine 0 N--CA 1.427 -1.93 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.16 153.53 58.13 Favored 'Trans proline' 0 C--O 1.247 0.973 0 C-N-CA 122.645 2.23 . . . . 0.0 110.909 -178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -73.45 155.01 39.72 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.6 pttm -66.11 -33.23 75.31 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.467 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -64.47 -42.19 96.04 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.549 0.69 . . . . 0.0 109.52 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.593 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 34.6 t80 -73.38 -32.04 64.25 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.508 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 59.7 mtpt -66.51 -44.65 81.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.6 mtp180 -57.81 -42.74 84.89 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 123.696 0.623 . . . . 0.0 110.034 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 30.6 tp -57.45 -49.01 77.65 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.188 175.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 77.1 mt-30 -54.65 -54.18 44.96 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 123.965 0.79 . . . . 0.0 109.792 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 47.5 mt-10 -55.07 -48.38 73.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 124.032 0.833 . . . . 0.0 110.226 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -58.5 -55.15 38.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.068 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 9.8 pt20 -65.14 -37.8 88.57 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.33 -38.91 92.71 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.425 0.155 . . . . 0.0 111.27 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 83.4 mtp180 -65.75 -42.23 91.19 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.899 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.45 -39.22 79.27 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.975 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.7 mt-30 -67.03 -21.34 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 112.02 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -87.32 -54.08 4.49 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 120.949 0.404 . . . . 0.0 110.041 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -82.1 -25.56 34.38 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -124.12 157.52 34.44 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.401 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 3.9 pt20 -149.22 165.54 31.55 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.284 0.634 . . . . 0.0 109.548 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.9 -133.55 52.69 Favored Glycine 0 C--N 1.315 -0.623 0 O-C-N 123.926 0.766 . . . . 0.0 112.979 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.7 -34.62 74.64 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.605 0.762 . . . . 0.0 110.553 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -62.96 -39.96 96.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.022 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 59.7 tp -69.4 -45.36 69.43 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.61 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -50.69 -55.77 15.02 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.61 -44.64 96.62 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.754 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 13.1 t -64.04 -52.96 56.93 Favored 'General case' 0 C--N 1.312 -1.034 0 O-C-N 123.631 0.582 . . . . 0.0 111.087 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -70.75 -32.18 69.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.011 -177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.15 -35.79 78.63 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 36.2 ptt180 -71.87 -29.22 64.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.851 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.73 -39.74 95.05 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.73 0.644 . . . . 0.0 109.654 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -60.53 -44.06 96.49 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.25 0.547 . . . . 0.0 109.72 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 29.2 mm-40 -64.44 -45.51 87.14 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.203 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -56.52 -42.55 78.61 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.086 0.469 . . . . 0.0 111.07 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -54.85 -52.87 61.43 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.637 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.21 -29.49 69.17 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.807 0.337 . . . . 0.0 111.651 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 76.5 mtp180 -73.52 -50.58 20.67 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.912 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -108.56 29.44 7.4 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -76.45 -51.52 11.63 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.91 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.24 -77.84 0.7 Allowed Glycine 0 C--O 1.248 1.012 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -90.32 164.47 14.34 Favored 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -160.86 118.15 2.37 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -85.87 92.68 8.71 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.23 -87.71 0.06 OUTLIER Glycine 0 C--N 1.3 -1.471 0 C-N-CA 119.856 -1.164 . . . . 0.0 111.759 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -86.45 21.39 2.13 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 122.331 1.062 . . . . 0.0 110.097 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -72.66 -16.59 61.69 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 125.331 1.452 . . . . 0.0 108.75 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.305 -1.363 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 177.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.27 -156.05 40.92 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.79 143.14 29.44 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.316 2.011 . . . . 0.0 110.039 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 5.7 t70 -87.71 172.33 9.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HG2' ' OD2' ' A' ' 4' ' ' ASP . 8.0 ptpp? -58.29 -40.96 83.33 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.721 1.209 . . . . 0.0 111.489 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -67.69 -29.54 68.83 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -78.69 -33.6 46.79 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.76 -48.95 72.68 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.205 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -58.84 -39.05 80.14 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.269 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.21 -50.74 72.86 Favored 'General case' 0 C--O 1.25 1.09 0 C-N-CA 122.825 0.45 . . . . 0.0 110.553 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -58.99 -51.08 71.6 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.556 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.89 -33.79 76.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.72 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.5 -49.37 73.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.52 -29.35 65.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.737 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -61.1 -40.92 95.56 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.3 mmm180 -66.02 -49.87 66.23 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.157 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.7 m -52.74 -39.16 61.87 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 26' ' ' LEU . 13.1 pt20 -82.82 -13.49 56.12 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.996 -176.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -94.16 -36.18 12.17 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 36.4 mt-10 -93.23 -25.53 17.76 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -125.86 166.18 17.35 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.682 0.277 . . . . 0.0 110.593 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -145.34 170.22 16.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.46 -133.09 52.81 Favored Glycine 0 C--N 1.312 -0.772 0 O-C-N 123.97 0.794 . . . . 0.0 113.485 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -67.46 -29.95 69.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.073 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -63.05 -40.42 97.66 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 18.7 tp -66.41 -44.76 82.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.832 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -53.25 -52.65 58.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 124.163 0.914 . . . . 0.0 111.175 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 29.9 mt-10 -67.86 -41.62 82.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.02 -51.18 71.19 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.1 pt20 -64.91 -39.67 93.88 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.765 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 56.0 tt0 -57.97 -45.05 87.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 123.046 0.538 . . . . 0.0 110.514 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 65.1 mtt180 -66.23 -36.51 83.21 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.404 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.36 -38.55 90.42 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 56.0 mt-30 -65.95 -37.82 87.0 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 33.0 mm-40 -59.13 -48.36 81.89 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.25 -42.48 81.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.634 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -64.07 -41.26 97.41 Favored 'General case' 0 C--O 1.203 -1.39 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.775 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.74 -34.45 74.45 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.331 0.586 . . . . 0.0 110.352 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 92.5 mtt180 -70.74 -49.57 45.37 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.097 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.57 7.36 36.74 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -20.74 37.47 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.46 54.47 Favored Glycine 0 N--CA 1.418 -2.528 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -75.97 92.3 3.13 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -87.82 -29.04 21.26 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.03 115.71 13.82 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 115.07 6.92 Favored Glycine 0 N--CA 1.44 -1.037 0 O-C-N 123.601 0.563 . . . . 0.0 112.992 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -100.87 74.29 1.62 Allowed 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 m -91.51 -30.99 16.13 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.302 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 . . . . . 0 C--N 1.305 -1.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.772 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 . . . . . 0 CA--C 1.515 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.03 95.37 2.14 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.68 138.2 48.49 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 122.565 2.176 . . . . 0.0 111.792 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.95 175.49 10.51 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.428 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.1 -56.36 17.53 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -171.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -70.11 -30.82 68.12 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.196 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.554 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 65.2 t80 -66.01 -38.3 88.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.32 -46.03 90.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.33 -30.81 70.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.016 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.56 82.14 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 123.542 0.737 . . . . 0.0 109.992 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 70.6 mt-30 -55.04 -52.76 62.17 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.8 mm-40 -52.96 -49.56 65.84 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.552 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -56.87 -51.82 67.54 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.556 0.535 . . . . 0.0 110.758 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 11.1 pt20 -74.26 -32.53 62.98 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.316 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -66.19 -26.56 67.46 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 121.168 0.509 . . . . 0.0 111.073 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.518 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 23.0 mtp180 -74.96 -45.25 43.47 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -52.43 -41.06 62.93 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.395 0.435 . . . . 0.0 111.381 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 91.5 mt-30 -69.87 -13.78 62.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 0.0 112.13 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -108.32 -47.36 3.54 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.965 0.412 . . . . 0.0 110.629 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 16' ' ' ARG . 38.3 mt-10 -82.6 -25.16 33.48 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -120.35 160.49 22.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 20.4 pt20 -148.31 164.44 34.02 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . . . 58.5 -128.51 47.79 Favored Glycine 0 C--N 1.305 -1.143 0 O-C-N 123.966 0.791 . . . . 0.0 112.858 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -71.82 -30.43 65.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 27.6 mmm180 -60.15 -39.76 87.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.737 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 19.4 tp -67.2 -46.56 73.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 12.5 mm-40 -56.98 -46.04 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.852 0.72 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.06 -45.15 90.04 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.495 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.75 -55.51 22.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.201 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -59.38 -39.63 83.95 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.14 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 35.2 tt0 -61.31 -48.84 79.52 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 123.557 0.536 . . . . 0.0 110.36 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -64.32 -35.21 80.11 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 75.8 m -62.11 -42.82 99.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 79.4 mt-30 -66.36 -41.14 89.94 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.551 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 30.0 mm-40 -59.86 -43.79 94.5 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.202 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 47.1 mt-10 -59.19 -50.62 73.35 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.471 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -54.5 -41.07 69.18 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 15.5 mm100 -60.16 -32.93 71.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.25 0.548 . . . . 0.0 110.922 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -82.07 -30.61 31.24 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.999 -178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 12.6 pt-20 -112.31 26.12 10.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -65.49 -11.2 41.14 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -176.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.51 1.19 Allowed Glycine 0 CA--C 1.477 -2.322 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.18 149.41 26.86 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 172.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.3 t60 73.34 -57.54 0.63 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.961 0.904 . . . . 0.0 110.346 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -118.48 90.36 3.32 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.77 -102.12 1.84 Allowed Glycine 0 C--N 1.297 -1.611 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.55 -8.21 49.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.27 0.557 . . . . 0.0 112.362 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -76.6 -17.54 59.13 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.522 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.5 -0.976 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.485 -178.333 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.82 -172.34 31.2 Favored Glycine 0 N--CA 1.435 -1.387 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -87.29 -162.84 0.15 Allowed 'Trans proline' 0 C--O 1.246 0.888 0 C-N-CA 122.735 2.29 . . . . 0.0 112.056 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -53.7 138.97 33.84 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.069 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.89 -34.36 71.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -60.9 -39.26 88.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.941 177.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 30.5 t80 -79.69 -33.67 40.86 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.194 -176.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -64.45 -43.1 95.32 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -59.59 -45.99 90.27 Favored 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 123.916 0.76 . . . . 0.0 109.884 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.36 -48.97 77.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.984 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 48.8 mt-30 -57.8 -51.77 68.21 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.544 0.528 . . . . 0.0 111.953 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.23 -39.11 86.19 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.36 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.93 -52.89 63.63 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.157 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.0 mt-30 -61.36 -45.39 94.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.107 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -57.96 -41.8 83.66 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.426 0.454 . . . . 0.0 111.98 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.49 -46.25 80.44 Favored 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -57.9 -38.9 76.65 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 123.394 0.434 . . . . 0.0 110.926 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 50.3 mt-30 -68.71 -23.72 64.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -96.34 -50.45 4.77 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -78.35 -26.04 46.6 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -123.51 174.45 7.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.94 -0.475 . . . . 0.0 110.421 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -160.41 166.06 29.98 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.66 -118.93 4.59 Favored Glycine 0 C--N 1.311 -0.841 0 O-C-N 125.037 1.461 . . . . 0.0 115.069 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 52.7 mt-30 -65.05 -43.9 90.82 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.716 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -63.0 -33.6 75.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.558 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 46.5 tp -65.16 -55.4 18.87 Favored 'General case' 0 CA--C 1.502 -0.878 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.145 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -56.95 -36.37 70.2 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.75 0.656 . . . . 0.0 111.675 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 48.5 mt-10 -66.23 -50.49 63.61 Favored 'General case' 0 C--O 1.251 1.156 0 CA-C-O 121.256 0.551 . . . . 0.0 109.98 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.3 t -61.21 -55.64 29.82 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.277 1.031 . . . . 0.0 111.248 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 4.1 pt20 -66.12 -26.01 67.26 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.568 -176.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.45 -43.83 96.27 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -62.81 -35.76 80.94 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.002 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' GLN . 56.0 m -59.13 -43.05 91.95 Favored 'General case' 0 C--O 1.246 0.872 0 O-C-N 123.496 0.498 . . . . 0.0 109.915 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 53.1 mt-30 -65.26 -38.89 91.71 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.808 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -66.55 -41.93 87.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.692 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -55.99 -49.04 74.73 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 123.632 0.583 . . . . 0.0 109.569 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -50.58 -51.78 45.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 112.183 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 41.3 mt-30 -63.38 -38.65 91.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.237 0.541 . . . . 0.0 110.881 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -73.7 -37.31 65.22 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -75.51 -27.13 58.64 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -58.03 -48.91 78.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.25 -69.12 1.68 Allowed Glycine 0 C--O 1.224 -0.482 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.497 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -91.19 150.76 21.22 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -92.58 -12.05 32.76 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.833 0.825 . . . . 0.0 109.637 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.518 ' HB3' ' OG1' ' A' ' 48' ' ' THR . 28.3 mt-30 -82.22 149.39 27.9 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.505 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.9 86.71 1.4 Allowed Glycine 0 N--CA 1.435 -1.395 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.92 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 66.45 5.21 3.64 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.518 ' OG1' ' HB3' ' A' ' 45' ' ' GLN . 5.7 p -86.17 -13.71 46.22 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.114 0.959 . . . . 0.0 109.921 176.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.424 -1.771 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -179.558 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 CA--C 1.505 -0.752 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.79 -160.69 32.55 Favored Glycine 0 N--CA 1.439 -1.139 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 175.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.14 120.65 8.63 Favored 'Trans proline' 0 CA--C 1.5 -1.209 0 C-N-CA 122.559 2.173 . . . . 0.0 110.79 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.41 165.45 23.76 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.84 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 93.7 mttt -56.3 -52.69 63.6 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 124.418 1.087 . . . . 0.0 110.365 -178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -65.89 -31.14 71.91 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.411 0.624 . . . . 0.0 110.564 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -78.21 -36.55 47.05 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.351 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HA ' HE21 ' A' ' 11' ' ' GLN . 28.0 ttpp -66.53 -40.65 89.25 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 46.1 mtp180 -58.58 -43.99 89.67 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 123.642 0.589 . . . . 0.0 109.63 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.1 tp -57.61 -51.36 69.8 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 123.485 0.491 . . . . 0.0 111.089 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' A' ' 8' ' ' LYS . 49.4 mt-30 -55.22 -54.3 45.12 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 123.855 0.722 . . . . 0.0 110.085 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 43.1 mt-10 -58.62 -45.35 89.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.741 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.25 -52.23 66.57 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 111.63 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.4 pt20 -68.59 -31.76 71.18 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.723 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -67.11 -39.1 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 4.4 mmp_? -66.1 -40.4 90.75 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.324 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.38 -39.2 75.57 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 49.3 mt-30 -68.82 -16.78 63.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -98.16 -41.87 7.71 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.889 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.28 -25.45 23.93 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -124.72 173.4 8.58 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -156.12 167.68 29.67 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 122.815 0.446 . . . . 0.0 110.006 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.74 -132.04 47.44 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 124.024 0.827 . . . . 0.0 114.275 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -63.56 -38.93 92.99 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.945 0.498 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -68.25 -27.58 66.47 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.238 0.542 . . . . 0.0 109.791 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.39 -43.74 80.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.116 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -64.06 -40.78 97.03 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.96 -40.53 87.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.9 t -64.08 -50.03 69.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.509 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.01 -32.05 73.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.28 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 26.6 tt0 -60.25 -39.93 88.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -60.08 -46.26 90.19 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.9 m -60.03 -40.83 90.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.216 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.572 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 16.2 mm100 -63.62 -40.25 96.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.847 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.3 mm-40 -62.65 -40.2 96.3 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.239 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -62.25 -46.0 90.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.738 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -58.9 -37.33 76.36 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.579 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 12.4 mm100 -73.15 -29.25 62.74 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.296 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 18.0 mmm180 -70.52 -39.75 73.9 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.543 0.687 . . . . 0.0 109.249 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.45 2.52 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 62.9 pttt -85.4 -17.77 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.669 -0.812 . . . . 0.0 108.991 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.59 76.29 0.27 Allowed Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.56 75.48 7.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.883 0.849 . . . . 0.0 110.234 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.22 8.46 41.67 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.635 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -73.8 111.6 9.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.896 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.79 -1.23 48.55 Favored Glycine 0 N--CA 1.44 -1.097 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.381 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -77.14 102.18 6.46 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.959 0.409 . . . . 0.0 110.88 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -105.5 -9.51 17.43 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.959 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 . . . . . 0 C--O 1.238 0.456 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 3' ' ' PRO . . . -85.98 143.84 19.9 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 173.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD3' ' HA2' ' A' ' 2' ' ' GLY . 46.0 Cg_exo -59.31 174.33 1.07 Allowed 'Trans proline' 0 C--O 1.249 1.026 0 C-N-CA 123.457 2.771 . . . . 0.0 113.944 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.21 157.97 5.74 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.36 1.064 . . . . 0.0 111.2 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.1 ptmm? -47.99 -45.93 32.13 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.264 1.426 . . . . 0.0 112.675 -174.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' OG ' ' HB3' ' A' ' 40' ' ' GLU . 16.5 m -67.06 -41.2 86.87 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.946 0.403 . . . . 0.0 112.04 -176.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -78.06 -32.52 50.85 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.28 -51.89 67.62 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.422 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 50.0 mtp180 -58.01 -44.76 87.45 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.348 177.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 40.4 tp -55.36 -47.67 75.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 123.685 0.616 . . . . 0.0 111.715 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.72 -52.63 64.67 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.32 -42.22 98.31 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.44 -49.57 77.3 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 42.0 mt-30 -67.47 -36.73 81.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.59 -178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -62.45 -42.09 99.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.333 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -63.85 -40.67 97.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.581 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.8 -35.77 77.31 Favored 'General case' 0 C--O 1.206 -1.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.361 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 48.3 mt-30 -67.39 -32.58 73.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.959 0.409 . . . . 0.0 111.032 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -77.9 -50.29 12.52 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.05 -25.49 27.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -125.6 168.46 13.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 122.033 -0.417 . . . . 0.0 111.278 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -156.35 166.02 34.64 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 123.356 0.662 . . . . 0.0 109.853 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.15 -137.82 45.7 Favored Glycine 0 C--O 1.242 0.644 0 O-C-N 123.865 0.728 . . . . 0.0 113.255 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -66.09 -33.29 75.45 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.96 0.904 . . . . 0.0 109.841 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -64.37 -31.94 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.47 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.46 -38.78 77.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.935 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.3 -43.76 98.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.412 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.51 -49.66 70.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.695 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.7 t -59.98 -51.75 68.32 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.051 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -62.75 -33.27 74.8 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.586 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 37.9 tt0 -60.46 -45.8 92.37 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 34.9 mmt180 -61.2 -34.63 75.39 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.105 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.78 -41.1 96.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.653 0.739 . . . . 0.0 109.352 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 77.7 mt-30 -70.94 -33.17 70.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.609 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.8 mm-40 -62.16 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 44.9 mt-10 -60.66 -47.17 87.46 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.072 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -55.32 -35.34 65.04 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.895 0.747 . . . . 0.0 111.264 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 78.9 mt-30 -67.64 -41.14 84.34 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.23 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -71.57 -18.03 62.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.196 0.598 . . . . 0.0 110.518 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 20.1 mm-40 -81.99 -28.37 32.66 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.208 1.003 . . . . 0.0 110.916 176.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -87.19 -48.82 7.73 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.12 90.04 1.24 Allowed Glycine 0 N--CA 1.412 -2.964 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.73 83.15 0.88 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 120.819 0.342 . . . . 0.0 110.16 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -73.59 -51.75 15.79 Favored 'General case' 0 CA--C 1.491 -1.306 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -115.97 94.64 4.75 Favored 'General case' 0 N--CA 1.405 -2.72 0 CA-C-N 114.341 -1.3 . . . . 0.0 107.493 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.87 -168.11 15.7 Favored Glycine 0 N--CA 1.425 -2.055 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -92.04 -14.86 28.67 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.422 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -121.93 3.91 9.95 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.64 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.309 -1.182 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -177.1 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 120.829 0.347 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.87 111.28 4.11 Favored Glycine 0 N--CA 1.423 -2.186 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -76.01 163.42 33.13 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.452 2.101 . . . . 0.0 111.343 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.75 159.62 24.74 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -60.7 -42.85 98.02 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.627 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -82.36 -20.0 38.11 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 120.991 0.424 . . . . 0.0 110.357 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -75.39 -37.08 60.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -64.17 -35.2 80.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 21.6 tp -58.53 -50.01 75.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.167 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 2.0 mp0 -60.55 -43.12 97.56 Favored 'General case' 0 C--O 1.211 -0.945 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.781 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 19.4 mm-40 -50.94 -54.14 26.81 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.468 0.48 . . . . 0.0 110.176 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -62.26 -53.51 54.12 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.625 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.4 pt20 -69.73 -36.13 75.59 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 29.9 mmt180 -68.48 -30.36 69.18 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.875 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 13.7 mmm180 -64.89 -46.73 80.54 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.48 -38.74 69.51 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.616 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 92.7 mt-30 -68.77 -20.66 64.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -101.15 -40.54 7.13 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.32 -25.56 27.08 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 26.0 mm-40 -125.57 159.26 32.53 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 122.209 -0.307 . . . . 0.0 110.316 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.93 155.35 49.26 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' GLN . . . 43.76 -115.99 1.34 Allowed Glycine 0 N--CA 1.47 0.919 0 O-C-N 124.523 1.14 . . . . 0.0 115.507 174.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -59.68 -44.99 93.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.941 0.897 . . . . 0.0 110.789 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 28.2 mmm180 -61.05 -39.97 91.84 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.405 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.28 -43.42 91.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.404 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 50.6 mt-30 -54.67 -52.99 60.63 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 123.81 0.694 . . . . 0.0 110.193 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 41.8 mt-10 -62.93 -46.51 87.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 124.011 0.819 . . . . 0.0 111.186 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.1 -56.33 22.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.121 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 12.1 pt20 -69.5 -28.64 66.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.77 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 23.6 tp60 -61.58 -42.52 98.97 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 98.0 mtt180 -62.7 -38.55 90.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.404 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -63.0 -40.44 97.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.91 176.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 96.6 mt-30 -66.14 -39.79 90.12 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.489 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 28.4 mm-40 -61.06 -41.79 97.27 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 39' ' ' ARG . 34.6 mt-10 -62.22 -43.24 99.28 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.098 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -60.5 -36.14 77.62 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.744 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 96.2 mt-30 -65.34 -34.73 79.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.752 0.31 . . . . 0.0 110.558 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 92.3 mtt180 -66.33 -48.83 69.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.219 1.009 . . . . 0.0 108.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.87 -1.53 56.64 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.361 -1.291 . . . . 0.0 114.093 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 38' ' ' GLN . 63.3 pttt -87.54 -30.73 20.33 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.76 70.83 0.43 Allowed Glycine 0 N--CA 1.423 -2.221 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -81.51 97.08 7.63 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -93.2 74.17 4.62 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.444 0.64 . . . . 0.0 109.715 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -145.74 103.79 3.81 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 42.04 0.02 OUTLIER Glycine 0 C--N 1.295 -1.697 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.89 130.43 42.94 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 123.646 0.778 . . . . 0.0 110.643 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.2 p -82.57 79.43 8.99 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 121.849 0.833 . . . . 0.0 109.93 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.294 -1.81 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.734 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.43 -151.78 43.86 Favored Glycine 0 C--O 1.251 1.172 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.455 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -70.84 155.45 62.33 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.241 1.96 . . . . 0.0 111.006 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.09 151.58 30.62 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 123.513 0.725 . . . . 0.0 110.11 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.1 pttp -58.27 -38.38 76.85 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.543 0.687 . . . . 0.0 110.308 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -65.71 -40.99 92.82 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.63 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 66.3 t80 -78.32 -36.98 45.71 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.177 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -70.64 -32.21 69.44 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 75.7 mtp180 -70.21 -36.85 74.87 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.757 175.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 27.6 tp -57.61 -47.6 81.72 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.103 175.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 76.6 mt-30 -53.02 -49.24 66.66 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.997 0.811 . . . . 0.0 110.621 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.07 -47.43 82.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.972 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.98 -49.44 77.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.008 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.1 pt20 -68.2 -36.25 79.26 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.79 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -42.14 75.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 117.928 0.331 . . . . 0.0 110.406 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -64.71 -48.46 74.56 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.066 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.1 m -57.19 -38.67 74.0 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 96.6 mt-30 -73.54 -15.32 61.3 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -99.42 -48.7 4.69 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.129 0.49 . . . . 0.0 110.305 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.7 -25.14 33.26 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.167 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' A' ' 25' ' ' ARG . 21.8 mm-40 -125.17 160.49 29.03 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.1 0.476 . . . . 0.0 110.338 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -151.13 162.32 41.09 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.827 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.17 -116.94 7.46 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 124.523 1.14 . . . . 0.0 114.381 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 50.7 tt0 -70.41 -38.37 74.62 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.461 0.704 . . . . 0.0 110.022 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HB3' ' OE1' ' A' ' 21' ' ' GLN . 36.4 mmt180 -69.75 -27.98 65.4 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.362 0.601 . . . . 0.0 110.568 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 49.0 tp -68.3 -45.38 73.17 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.946 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 12.4 pt20 -63.72 -36.45 83.89 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 42.2 mt-10 -66.97 -45.7 76.92 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.79 -55.67 18.27 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.1 pt20 -66.65 -25.36 66.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.631 -0.828 . . . . 0.0 112.869 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.09 -38.54 91.43 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 mtm105 -64.28 -35.53 81.13 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.043 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m -65.39 -32.92 74.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.602 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 45.3 mt-30 -69.41 -37.37 77.43 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.43 -52.43 65.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.237 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.03 -41.11 70.94 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.742 0.651 . . . . 0.0 111.787 175.276 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 64.0 t80 -55.85 -48.73 74.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.071 0.549 . . . . 0.0 110.988 177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.83 -31.86 68.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -69.38 -33.1 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.453 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 13.5 mm-40 -77.96 -23.66 48.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.386 177.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 37' ' ' TYR . 53.8 mtpt -82.58 -50.92 8.27 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.611 177.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.11 156.21 7.23 Favored Glycine 0 N--CA 1.429 -1.825 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -76.11 95.62 3.69 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 123.397 0.679 . . . . 0.0 109.997 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.3 m80 43.4 62.76 1.76 Allowed 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.735 1.214 . . . . 0.0 112.763 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -127.43 163.69 23.52 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.903 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.86 163.69 26.91 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 67.22 16.25 10.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.797 1.239 . . . . 0.0 112.498 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 t -127.91 76.79 1.71 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.783 1.277 . . . . 0.0 107.683 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 C--N 1.294 -1.839 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.635 -174.326 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.69 151.94 20.33 Favored Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.0 151.84 83.54 Favored 'Trans proline' 0 C--O 1.255 1.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.664 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -71.31 151.83 43.81 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -68.15 -28.15 67.04 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.503 0.668 . . . . 0.0 110.2 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -68.29 -27.74 66.58 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.347 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -77.38 -32.02 54.64 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.33 -46.46 86.54 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -67.11 -40.91 86.96 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.812 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 2.0 tm? -51.0 -50.36 58.64 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.57 0.748 . . . . 0.0 110.829 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 48.9 mt-30 -57.18 -53.95 52.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.213 175.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.99 -41.25 82.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.34 -49.42 77.88 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.762 0.825 . . . . 0.0 110.168 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 10.5 pt20 -71.33 -30.74 66.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.707 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 28.5 mmm180 -62.79 -41.2 99.16 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -61.68 -45.51 93.7 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.751 175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.06 -38.18 67.7 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.767 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 22.2 mt-30 -67.03 -25.33 66.22 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.739 0.304 . . . . 0.0 111.506 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -95.71 -48.36 5.81 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.277 0.561 . . . . 0.0 110.9 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -79.12 -25.08 43.0 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.01 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -125.47 170.46 11.39 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -155.2 164.58 38.62 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.85 -127.06 41.87 Favored Glycine 0 C--O 1.246 0.883 0 O-C-N 124.407 1.067 . . . . 0.0 113.81 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.7 tp-100 -66.26 -41.51 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.44 -40.05 71.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.555 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 17.2 tp -67.75 -46.95 70.65 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.063 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -57.82 -47.83 81.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.838 0.712 . . . . 0.0 110.454 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 49.4 mt-10 -62.2 -48.98 77.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.411 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.38 -56.04 26.96 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.248 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 4.0 pt20 -64.75 -36.66 85.02 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 36.0 tt0 -68.96 -38.73 79.59 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -67.99 -27.62 66.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.184 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 74.0 m -66.37 -36.49 83.0 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.0 -36.73 75.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.592 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.2 mm-40 -60.87 -43.53 98.27 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 52.6 mm-40 -55.0 -56.19 22.47 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.822 175.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -52.06 -45.16 64.61 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 123.988 0.805 . . . . 0.0 112.827 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.03 -35.09 77.68 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.416 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -79.83 -22.13 43.36 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 14.9 mm-40 -74.68 -31.9 62.05 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -86.98 -35.33 18.9 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.461 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.77 145.36 14.7 Favored Glycine 0 N--CA 1.427 -1.908 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.682 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -104.58 97.49 7.39 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -122.39 -17.47 7.05 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.575 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -94.1 131.16 39.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.321 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.07 67.24 3.03 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -109.35 7.22 24.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 121.774 0.797 . . . . 0.0 110.163 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.1 t -149.55 21.73 0.92 Allowed 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.644 -1.162 . . . . 0.0 107.904 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.544 -177.803 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 . . . . . 0 C--O 1.239 0.508 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.38 152.34 24.3 Favored Glycine 0 N--CA 1.428 -1.872 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.59 162.15 36.03 Favored 'Trans proline' 0 C--O 1.247 0.942 0 C-N-CA 122.038 1.825 . . . . 0.0 111.036 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.19 167.64 21.53 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HG3' ' H ' ' A' ' 5' ' ' LYS . 24.6 mtmm -46.99 -47.43 21.98 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 125.941 1.696 . . . . 0.0 108.224 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.629 ' OG ' ' HA ' ' A' ' 41' ' ' LYS . 3.2 m -62.81 -47.08 85.01 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 113.193 -1.821 . . . . 0.0 112.072 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -76.5 -28.08 56.29 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.827 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -63.95 -52.01 61.73 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.473 HH12 ' CD ' ' A' ' 40' ' ' GLU . 16.2 ptm180 -67.33 -35.01 78.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.877 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 37.9 tp -64.67 -50.05 68.57 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.94 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.11 -46.71 88.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 123.462 0.477 . . . . 0.0 111.547 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.98 -42.63 99.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.919 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.6 -51.7 57.73 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.661 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 7.8 pt20 -67.42 -32.84 73.99 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.925 -0.484 . . . . 0.0 111.596 -178.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HA ' HE21 ' A' ' 18' ' ' GLN . 83.9 mtt180 -68.99 -27.59 65.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 120.925 0.393 . . . . 0.0 112.052 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HB3' ' OE1' ' A' ' 20' ' ' GLU . 30.9 mtp180 -70.26 -45.48 66.32 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.101 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.3 m -55.41 -40.94 72.06 Favored 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.639 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 47.0 mt-30 -69.39 -18.7 63.79 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.062 0.458 . . . . 0.0 111.952 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.2 m -99.58 -52.8 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' OE1' ' HB3' ' A' ' 16' ' ' ARG . 39.0 mt-10 -78.43 -25.27 45.95 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.165 0.586 . . . . 0.0 112.152 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -122.3 175.02 6.63 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -163.37 170.53 17.38 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.37 -133.04 48.19 Favored Glycine 0 C--O 1.252 1.246 0 O-C-N 124.211 0.945 . . . . 0.0 113.381 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 6.6 tp-100 -69.54 -37.15 76.97 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.63 -34.68 73.1 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.916 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 24.5 tp -66.18 -45.62 80.21 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.99 -42.92 99.35 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.97 0.794 . . . . 0.0 110.334 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 43.6 mt-10 -62.99 -49.25 75.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.078 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 t -60.85 -54.05 49.9 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.503 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 10.2 pt20 -63.01 -31.88 73.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp60 -65.76 -35.28 80.28 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.56 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmm180 -67.34 -32.29 73.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 109.745 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 59.1 m -71.01 -35.57 72.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.257 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.63 -30.48 68.21 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.102 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.3 mm-40 -61.52 -44.75 96.51 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 20.2 mm-40 -59.09 -45.59 90.44 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.608 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 70.0 t80 -54.73 -53.63 52.51 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.789 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 14.3 mm-40 -68.94 -41.71 77.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' HG3' ' A' ' 40' ' ' GLU . 14.3 ptm180 -61.78 -51.22 69.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' CD ' HH12 ' A' ' 9' ' ' ARG . 45.0 mt-10 -106.59 26.93 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -172.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 61.6 pttt -71.51 -35.57 70.79 Favored 'General case' 0 C--O 1.25 1.089 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.69 -65.25 0.76 Allowed Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.14 151.8 26.79 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -70.78 -32.23 69.27 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.068 0.461 . . . . 0.0 109.83 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -90.27 -6.76 54.8 Favored 'General case' 0 C--O 1.25 1.109 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.13 -147.35 50.88 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.471 -174.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -88.63 73.67 8.55 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.846 0.831 . . . . 0.0 108.977 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 t -77.71 80.94 4.16 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.913 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.236 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.78 107.23 0.21 Allowed Glycine 0 N--CA 1.425 -2.077 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.72 -175.98 2.84 Favored 'Trans proline' 0 N--CA 1.443 -1.481 0 C-N-CA 121.757 1.638 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -89.0 132.86 34.54 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -62.4 -35.44 79.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.646 . . . . 0.0 109.932 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' A' ' 41' ' ' LYS . 2.8 m -73.67 -34.3 64.84 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.71 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -76.16 -32.13 58.92 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.01 -48.03 83.4 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -64.11 -41.01 97.41 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.391 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 25.9 tp -55.97 -48.08 76.46 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.42 0.45 . . . . 0.0 111.018 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.32 -47.9 80.34 Favored 'General case' 0 C--O 1.243 0.751 0 O-C-N 123.606 0.567 . . . . 0.0 110.918 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 25.1 mm-40 -64.1 -45.17 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 t -59.02 -51.96 67.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 123.548 0.53 . . . . 0.0 110.709 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.0 pt20 -64.37 -35.86 82.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.578 ' HA ' HE21 ' A' ' 18' ' ' GLN 0.269 5.7 ppt_? -71.07 -28.45 64.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.095 -1.042 . . . . 0.0 112.385 176.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 49.1 mtp180 -66.62 -44.59 81.64 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.61 -38.15 69.08 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.519 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.578 HE21 ' HA ' ' A' ' 15' ' ' ARG . 48.6 mt-30 -69.46 -14.14 62.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.1 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -105.47 -46.38 4.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.443 0.639 . . . . 0.0 110.489 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.61 -25.79 41.37 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -126.45 176.31 7.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 27.1 pt20 -164.69 170.22 15.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 175.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.74 -137.69 48.49 Favored Glycine 0 C--O 1.251 1.165 0 O-C-N 123.362 0.414 . . . . 0.0 112.58 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.68 -34.34 77.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 28.5 mmm180 -57.05 -41.0 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.166 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.2 tp -67.6 -44.99 76.79 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.578 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.28 -48.98 78.73 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 124.302 1.001 . . . . 0.0 110.226 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 23.3 mm-40 -57.86 -54.36 47.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 O-C-N 123.605 0.566 . . . . 0.0 110.875 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 t -55.58 -54.97 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.75 0.657 . . . . 0.0 111.792 -175.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 9.1 pt20 -63.05 -36.78 84.72 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.845 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.7 tp-100 -64.69 -39.65 94.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 15.5 mmm180 -65.87 -40.17 91.39 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.345 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.21 -39.55 83.03 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.16 0.505 . . . . 0.0 109.768 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -65.97 -36.43 83.3 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.031 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 22.7 mm-40 -70.97 -40.31 72.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 40.3 mt-10 -59.78 -42.27 92.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.984 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -51.59 -42.45 61.92 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 123.524 0.73 . . . . 0.0 111.383 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 49.7 mt-30 -71.54 -22.13 61.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.533 0.682 . . . . 0.0 110.665 -178.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -86.66 -54.02 4.62 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.771 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 12.0 pt-20 -88.88 16.05 7.51 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 23.1 pttp -71.49 -30.57 66.12 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.093 0.473 . . . . 0.0 110.959 178.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.35 -77.34 0.61 Allowed Glycine 0 N--CA 1.423 -2.211 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -119.1 134.53 55.15 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -61.26 -54.41 44.48 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -171.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -78.01 -22.84 48.67 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 119.29 2.67 Favored Glycine 0 N--CA 1.425 -2.067 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.11 136.82 39.85 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -101.09 0.02 37.11 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.3 m120 . . . . . 0 C--N 1.314 -0.961 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.36 177.768 . . . . . . . . 0 0 . 1 stop_ save_