data_6ucp_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 6ucp _Structure_validation_residue.Date_analyzed 2020-06-19 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 ' 2' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo . . . . . 0 N--CA 1.462 -0.34 0 N-CA-C 110.726 -0.528 . . . . 0.84 110.726 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 20' ' ' LEU . 92.2 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.576 -0.738 . . . . 0.42 109.681 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.812 0.339 . . . . 1.46 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p 53.25 19.73 1.63 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 1.41 113.026 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -80.52 138.49 36.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.869 -0.419 . . . . 0.8 109.869 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -56.79 129.04 39.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.662 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 68.47 23.96 7.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.398 -0.819 . . . . 3.02 111.647 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -139.02 -67.3 0.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.629 -0.714 . . . . 0.37 109.085 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.42 50.92 9.91 Favored Glycine 0 C--N 1.338 0.64 0 O-C-N 123.648 0.593 . . . . 0.34 113.665 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -87.53 133.63 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.0 -0.371 . . . . 2.17 110.0 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -100.97 153.83 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.983 -0.553 . . . . 3.96 110.496 -177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -141.63 161.08 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.31 110.141 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -113.18 2.63 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.253 0.549 . . . . 1.94 110.094 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 13.4 ptm180 -139.78 135.13 32.73 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.592 0.711 . . . . 3.33 110.299 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 p -67.6 -37.62 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.864 -1.062 . . . . 1.46 112.492 -170.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -64.9 -31.26 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 2.08 110.444 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 9.4 tp10 -72.58 -43.42 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 1.74 109.762 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 3' ' ' PHE . 40.6 tp -61.94 -46.95 87.07 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.345 -0.389 . . . . 1.12 110.566 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 34.7 tt0 -55.68 -50.43 70.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.171 0.51 . . . . 2.84 110.199 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 47.7 ttt180 -57.47 -44.78 85.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.243 -0.889 . . . . 4.57 110.564 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.633 ' O ' HG21 ' A' ' 26' ' ' THR . 49.5 t60 -64.52 -42.93 95.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.851 -0.613 . . . . 0.25 111.085 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.4 mtmt -57.0 -27.24 61.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.88 0.371 . . . . 2.23 110.889 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 99.7 mtt180 -63.75 -16.41 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.79 -0.641 . . . . 3.23 111.871 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 23' ' ' HIS . 2.9 t -86.9 -20.3 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 1.79 110.628 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 120.954 0.407 . . . . 0.83 110.81 179.58 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 41.1 Cg_endo . . . . . 0 CA--C 1.528 0.196 0 N-CA-C 113.651 0.596 . . . . 0.84 113.651 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.644 0.259 . . . . 0.42 110.38 -178.52 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.813 0.339 . . . . 1.46 110.233 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -96.67 17.0 17.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 1.41 111.794 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -77.93 136.62 38.04 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.942 0.401 . . . . 0.8 110.072 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -53.67 129.54 33.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.977 -1.011 . . . . 1.57 111.726 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 72.95 -11.75 0.84 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.514 0.726 . . . . 3.02 112.471 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.51 -70.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.696 -0.483 . . . . 0.37 109.696 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.45 44.25 36.27 Favored Glycine 0 C--N 1.335 0.506 0 O-C-N 123.433 0.458 . . . . 0.34 113.251 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -84.02 123.9 30.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.106 -0.331 . . . . 2.17 110.106 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.58 148.76 25.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.447 -0.342 . . . . 3.96 111.355 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.402 ' CD2' ' HG2' ' A' ' 19' ' ' GLU . 95.5 m-85 -139.29 170.18 16.41 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.096 0.474 . . . . 0.31 110.966 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.462 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 12.8 t -118.4 -10.17 10.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.889 -0.596 . . . . 1.94 111.068 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.8 149.69 50.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.95 0.405 . . . . 3.33 110.594 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.6 p -70.45 -46.49 63.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.93 -0.577 . . . . 1.46 110.92 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.57 -32.01 72.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.483 . . . . 2.08 110.044 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 43.2 tt0 -62.2 -48.04 81.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.246 -0.888 . . . . 1.74 110.23 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.8 tp -66.95 -45.09 78.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 1.12 111.41 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' SER . 17.1 mm-40 -58.5 -45.64 88.35 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.001 0.429 . . . . 2.84 110.517 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 35.9 ttm180 -57.96 -47.34 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.354 -0.839 . . . . 4.57 110.04 177.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.546 ' O ' HG21 ' A' ' 26' ' ' THR . 41.3 t60 -58.78 -48.23 81.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.39 -0.823 . . . . 0.25 111.075 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 50.4 mtpt -56.81 -26.11 57.34 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.027 0.442 . . . . 2.23 111.55 -176.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -66.69 -17.97 65.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.94 -0.573 . . . . 3.23 111.3 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 23' ' ' HIS . 1.6 t -78.08 -15.63 58.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.687 0.28 . . . . 1.79 110.515 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.248 0.547 . . . . 0.83 110.522 176.308 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.415 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 31.8 Cg_exo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 121.208 0.42 . . . . 0.84 111.633 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 91.0 m-85 . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.42 108.695 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.46 110.856 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m 66.98 -5.59 0.66 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.505 -0.77 . . . . 1.41 112.802 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -64.35 137.4 57.88 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.8 109.719 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -58.6 142.17 50.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.687 0.617 . . . . 1.57 110.982 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 64.4 23.0 12.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.608 -0.724 . . . . 3.02 111.131 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -141.15 -71.71 0.35 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.37 110.487 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.14 47.36 49.63 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.475 -0.393 . . . . 0.34 113.42 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -86.12 139.83 30.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.765 0.282 . . . . 2.17 110.628 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -100.95 152.69 20.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 3.96 110.869 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 91.6 m-85 -139.68 154.78 47.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.31 110.438 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 18.8 p -101.17 -14.59 17.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.758 -0.656 . . . . 1.94 111.089 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 11.7 ptm180 -135.34 142.67 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.303 0.573 . . . . 3.33 110.274 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 20.6 p -68.88 -31.18 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.404 -0.816 . . . . 1.46 112.051 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.2 m-20 -64.18 -35.34 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 2.08 110.351 178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 4.8 tp10 -67.37 -42.64 83.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 1.74 109.486 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.68 -43.12 99.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.402 -0.817 . . . . 1.12 110.578 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 14.7 mm100 -59.89 -46.95 87.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.639 -0.255 . . . . 2.84 111.195 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 91.8 mtt180 -57.82 -42.93 85.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.653 . . . . 4.57 109.717 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 48.6 t60 -67.87 -41.65 82.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.565 -1.198 . . . . 0.25 111.39 -176.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -58.23 -37.2 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.3 0.571 . . . . 2.23 110.091 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 77.7 mtp180 -69.43 -14.11 62.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 3.23 110.786 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.7 m -77.58 -39.32 46.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 1.79 110.451 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 120.894 0.378 . . . . 0.83 110.407 178.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.46 -0.481 0 CA-C-O 120.897 0.29 . . . . 0.84 111.622 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 17' ' ' SER . 65.2 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 116.037 -0.529 . . . . 0.42 110.089 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.665 -0.494 . . . . 1.46 109.665 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.7 p -85.36 14.27 5.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.479 -0.328 . . . . 1.41 111.695 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -68.29 134.55 50.52 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.237 -0.653 . . . . 0.8 109.237 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -58.41 138.04 56.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.57 111.276 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 69.89 0.61 3.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.447 -0.797 . . . . 3.02 111.96 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.5 t -105.26 -75.52 0.62 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.999 -0.281 . . . . 0.37 110.649 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.17 60.3 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.245 -0.502 . . . . 0.34 113.676 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.25 132.62 35.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.722 -0.473 . . . . 2.17 109.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -94.85 145.38 24.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.518 -0.31 . . . . 3.96 111.594 -173.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -140.65 147.71 39.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.224 -0.444 . . . . 0.31 110.308 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.2 m -97.98 -9.23 26.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.206 0.527 . . . . 1.94 110.439 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 12.2 ptm180 -131.49 133.99 45.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 3.33 110.557 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 11.4 t -67.71 -30.02 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.276 -0.875 . . . . 1.46 111.148 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.1 -35.69 81.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 2.08 110.953 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 7.4 tp10 -72.19 -37.96 69.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.417 -0.586 . . . . 1.74 109.417 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.8 tp -64.39 -47.57 78.74 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.12 110.594 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 95.8 mt-30 -55.81 -51.04 68.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.158 0.504 . . . . 2.84 110.409 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 43.0 ttt180 -55.05 -46.13 75.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.251 -0.886 . . . . 4.57 110.419 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.484 ' O ' HG22 ' A' ' 26' ' ' THR . 39.8 t60 -62.29 -44.65 96.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.462 -0.79 . . . . 0.25 111.088 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 30.9 mtpp -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.146 0.498 . . . . 2.23 110.552 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 80.6 mtp180 -71.89 -7.78 50.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 3.23 111.448 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -80.48 -28.86 37.43 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.498 -0.556 . . . . 1.79 109.498 175.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 109.418 -0.586 . . . . 0.83 109.418 177.163 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 121.04 0.35 . . . . 0.84 111.592 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 92.2 m-85 . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.13 -0.693 . . . . 0.42 109.13 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.567 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 12.9 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.901 -0.407 . . . . 1.46 109.901 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -91.57 24.71 2.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.859 0.361 . . . . 1.41 111.794 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -83.92 132.79 34.74 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.544 -0.539 . . . . 0.8 109.544 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 t -60.96 137.26 58.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.799 . . . . 1.57 110.806 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 65.69 16.92 10.71 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.454 -0.793 . . . . 3.02 111.388 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.4 t -121.26 -74.84 0.6 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.396 -0.594 . . . . 0.37 109.396 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 51.21 37.99 39.38 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 121.304 -0.474 . . . . 0.34 113.639 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.2 139.77 50.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.899 0.349 . . . . 2.17 110.498 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -98.75 144.1 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 3.96 111.039 -172.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -140.5 157.46 45.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.091 0.472 . . . . 0.31 110.722 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -111.96 -1.26 15.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.01 -0.541 . . . . 1.94 110.145 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -128.29 134.0 48.85 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.852 -0.613 . . . . 3.33 110.373 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.471 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 11.8 p -69.15 -36.27 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 1.46 110.917 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.162 0.506 . . . . 2.08 110.039 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.23 -46.2 88.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.478 -0.783 . . . . 1.74 109.504 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.6 tp -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.491 -0.777 . . . . 1.12 110.989 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.2 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 2.84 110.863 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.76 -47.56 79.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 4.57 109.789 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.21 -42.88 92.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.622 -0.717 . . . . 0.25 111.169 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.2 mtmt -59.69 -34.21 72.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.748 0.309 . . . . 2.23 110.403 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -68.94 -5.45 21.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 3.23 111.042 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 m -79.58 -36.89 37.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.431 . . . . 1.79 109.935 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 121.046 0.45 . . . . 0.83 110.113 179.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 121.127 0.386 . . . . 0.84 111.598 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.488 ' HB3' HD23 ' A' ' 20' ' ' LEU . 97.4 m-85 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.786 -0.643 . . . . 0.42 109.659 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 121.008 0.433 . . . . 1.46 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p 50.05 26.48 2.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.096 -0.957 . . . . 1.41 112.798 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -88.34 140.54 29.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.057 -0.349 . . . . 0.8 110.057 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 136.58 55.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.844 -0.616 . . . . 1.57 111.259 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 69.53 10.86 7.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.608 -0.724 . . . . 3.02 111.843 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.72 -70.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 121.083 -0.247 . . . . 0.37 110.575 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 51.88 20.13 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 123.323 0.39 . . . . 0.34 113.197 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 52.8 tttp -88.37 134.83 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.783 0.325 . . . . 2.17 110.63 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -100.66 146.37 27.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 3.96 111.371 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -137.02 162.72 32.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.31 110.737 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 p -106.71 -13.6 15.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.433 -0.803 . . . . 1.94 110.161 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -118.18 135.06 54.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.495 -0.775 . . . . 3.33 110.824 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.47 -38.75 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 1.46 111.294 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.5 -32.86 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.076 0.465 . . . . 2.08 109.935 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.55 -45.25 76.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.518 -0.765 . . . . 1.74 109.435 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 3' ' ' PHE . 33.8 tp -58.6 -47.69 83.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.711 -0.677 . . . . 1.12 110.765 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.1 mm100 -59.39 -45.8 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 2.84 110.947 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -57.44 -47.61 81.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.263 0.554 . . . . 4.57 109.595 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' THR . 49.1 t60 -61.67 -43.32 99.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.25 110.6 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.75 -29.84 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 2.23 111.034 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.9 mtt180 -64.82 -17.85 64.6 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.585 -0.28 . . . . 3.23 111.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.5 t -85.26 -18.14 34.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.54 -0.464 . . . . 1.79 110.188 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.83 109.836 176.019 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 N--CA 1.464 -0.213 0 CA-C-O 120.884 0.285 . . . . 0.84 112.338 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 74.5 m-85 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.42 110.307 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.734 -0.469 . . . . 1.46 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 p -82.74 25.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 1.41 112.086 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -79.82 120.68 24.41 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.8 108.638 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 37.3 m -54.51 144.63 20.71 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.207 0.317 . . . . 1.57 111.059 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 8' ' ' SER . 54.5 t80 76.48 -24.32 0.22 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.813 0.696 . . . . 3.02 111.356 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 8' ' ' SER . 43.5 t -87.04 -74.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.205 -0.294 . . . . 0.37 110.205 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.64 45.73 76.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.431 -0.414 . . . . 0.34 112.981 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -90.94 128.71 36.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.171 -0.307 . . . . 2.17 110.171 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -95.74 149.92 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.515 -0.311 . . . . 3.96 111.261 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -137.06 156.04 48.91 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.227 0.537 . . . . 0.31 111.038 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -101.39 -15.73 17.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 1.94 110.813 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 5.7 ptp180 -132.97 139.24 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.665 . . . . 3.33 110.431 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.638 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 18.3 p -70.14 -32.92 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.305 -0.861 . . . . 1.46 112.182 -171.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.73 -29.79 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.419 . . . . 2.08 109.956 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.581 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 6.6 tp10 -72.91 -39.36 66.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 1.74 109.668 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.9 tp -63.92 -45.21 90.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.95 -0.568 . . . . 1.12 110.465 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -63.35 -46.34 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.183 0.516 . . . . 2.84 110.706 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 46.0 ttt180 -56.61 -41.99 77.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.466 -0.788 . . . . 4.57 109.787 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -66.06 -41.37 90.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.21 -0.904 . . . . 0.25 111.311 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 97.5 mttt -52.69 -33.71 48.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.032 0.444 . . . . 2.23 110.989 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 25' ' ' ARG . 63.5 mtt180 -72.41 -0.19 11.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.59 -0.732 . . . . 3.23 111.899 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -90.21 -22.99 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.093 -0.336 . . . . 1.79 110.093 175.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 121.313 0.578 . . . . 0.83 109.994 177.366 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.763 0.235 . . . . 0.84 112.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 97.3 m-85 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.42 110.247 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.311 -0.625 . . . . 1.46 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -91.23 8.11 37.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.502 -0.317 . . . . 1.41 111.496 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -66.29 129.7 40.7 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.821 -0.437 . . . . 0.8 109.821 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -57.73 142.82 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.369 -0.832 . . . . 1.57 110.877 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 68.26 1.31 2.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.525 0.73 . . . . 3.02 111.942 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -108.64 -74.26 0.66 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.105 -0.332 . . . . 0.37 110.105 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.8 58.39 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.201 -0.524 . . . . 0.34 113.271 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 64.9 tttp -90.78 132.71 35.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.806 -0.232 . . . . 2.17 110.572 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -89.27 151.54 22.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.721 0.296 . . . . 3.96 111.35 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -141.12 161.2 38.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.154 -0.476 . . . . 0.31 110.455 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -107.2 -12.36 15.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.979 -0.555 . . . . 1.94 111.143 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 6.6 ptp180 -140.11 146.37 38.8 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.293 0.568 . . . . 3.33 110.739 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.7 p -70.35 -36.23 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.046 -0.979 . . . . 1.46 111.908 -172.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.3 -38.97 88.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 2.08 110.708 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 5.7 tp10 -65.97 -46.36 78.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.541 -0.54 . . . . 1.74 109.541 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.3 tp -59.95 -46.92 87.85 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.833 -0.621 . . . . 1.12 111.162 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 98.1 mt-30 -62.0 -45.35 93.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.495 -0.321 . . . . 2.84 111.423 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 22' ' ' ARG . 26.3 mtm180 -61.81 -40.22 94.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 4.57 109.699 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 30.0 t60 -62.31 -44.94 95.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.498 -0.774 . . . . 0.25 110.894 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 58.2 mtpt -63.05 -28.72 70.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 2.23 111.03 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 34.4 mtp180 -64.29 -21.91 66.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 3.23 110.754 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 m -73.09 -31.9 64.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.633 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.274 0.559 . . . . 0.83 109.588 176.067 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo . . . . . 0 C--O 1.233 0.241 0 CA-C-O 121.158 0.399 . . . . 0.84 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 17' ' ' SER . 91.4 m-85 . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 108.758 -0.83 . . . . 0.42 108.758 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 44.2 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.265 -0.642 . . . . 1.46 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -92.14 18.77 7.63 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.991 0.424 . . . . 1.41 111.509 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -66.14 143.36 57.34 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.247 -0.433 . . . . 0.8 110.012 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -58.67 135.33 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.57 110.965 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 66.83 9.67 6.96 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.532 -0.758 . . . . 3.02 111.953 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.6 t -111.4 -81.61 0.58 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.937 -0.305 . . . . 0.37 110.614 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 58.67 35.14 79.86 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.809 -0.71 . . . . 0.34 113.312 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -83.92 136.29 34.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.907 0.354 . . . . 2.17 110.233 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.26 150.74 23.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.869 0.366 . . . . 3.96 111.368 -175.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.45 157.98 45.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.31 110.114 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -95.33 -18.75 20.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.974 -0.557 . . . . 1.94 110.681 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -136.1 144.81 45.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.459 0.647 . . . . 3.33 110.714 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 31.6 t -70.77 -27.69 64.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.214 -0.903 . . . . 1.46 111.418 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -63.29 -37.42 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 2.08 109.967 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.27 -44.71 74.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.198 -0.91 . . . . 1.74 109.44 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.516 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 40.0 tp -60.39 -48.17 82.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.768 -0.651 . . . . 1.12 111.282 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.3 mm-40 -63.45 -42.58 98.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.711 0.291 . . . . 2.84 111.087 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -64.57 -37.96 89.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.688 -0.486 . . . . 4.57 109.688 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.536 ' O ' HG21 ' A' ' 26' ' ' THR . 22.0 t60 -62.58 -47.74 82.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.626 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 56.8 mtpt -57.23 -26.95 61.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.167 0.508 . . . . 2.23 111.118 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 30.3 mmm180 -67.01 -13.18 61.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.75 -0.659 . . . . 3.23 111.464 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -83.61 -26.51 29.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.643 0.258 . . . . 1.79 110.523 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.214 0.531 . . . . 0.83 109.745 176.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.462 -0.357 0 N-CA-C 112.785 0.263 . . . . 0.84 112.785 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 94.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.42 111.167 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.997 0.427 . . . . 1.46 110.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -86.85 23.22 1.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.919 -0.582 . . . . 1.41 111.927 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -81.23 133.15 35.4 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.68 -0.489 . . . . 0.8 109.68 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -59.23 135.96 57.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.352 -0.84 . . . . 1.57 111.281 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 66.0 14.66 9.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.508 -0.769 . . . . 3.02 111.719 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -115.84 -75.87 0.58 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.74 -0.466 . . . . 0.37 109.74 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.83 73.85 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.35 -0.452 . . . . 0.34 114.028 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 3.2 ttmp? -84.33 131.61 34.69 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.984 -0.376 . . . . 2.17 109.984 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -93.79 149.46 21.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.806 0.336 . . . . 3.96 111.821 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -140.0 161.7 36.96 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.197 0.523 . . . . 0.31 110.812 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.1 p -103.48 -18.32 14.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.481 -0.781 . . . . 1.94 111.781 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -134.9 147.77 49.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.551 0.691 . . . . 3.33 110.864 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 12.1 p -69.07 -34.2 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.918 -1.037 . . . . 1.46 112.318 -172.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.74 -35.92 82.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 2.08 110.359 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.25 -48.33 65.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.02 -0.536 . . . . 1.74 109.794 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.1 tp -58.54 -42.42 87.77 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.046 -0.524 . . . . 1.12 110.58 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 24.1 tp60 -63.45 -45.27 91.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 2.84 110.754 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.11 -45.43 87.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.196 0.522 . . . . 4.57 109.685 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 26' ' ' THR . 47.2 t60 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.233 -0.894 . . . . 0.25 111.189 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 29.6 mtpp -56.37 -29.42 61.4 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.184 0.516 . . . . 2.23 110.635 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 86.1 mtt180 -70.88 -6.09 35.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 3.23 111.417 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -84.85 -20.33 31.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.16 -0.311 . . . . 1.79 110.16 176.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 109.667 -0.494 . . . . 0.83 109.667 177.559 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.765 0.317 . . . . 5.29 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.91 -46.56 4.67 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.126 1.884 . . . . 0.84 110.726 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 20' ' ' LEU . 92.2 m-85 -126.36 150.8 48.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.576 -0.738 . . . . 0.42 109.681 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.1 p -73.87 -22.47 59.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 1.46 110.93 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p 53.25 19.73 1.63 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 1.41 113.026 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -80.52 138.49 36.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.869 -0.419 . . . . 0.8 109.869 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -56.79 129.04 39.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.662 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 68.47 23.96 7.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.398 -0.819 . . . . 3.02 111.647 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -139.02 -67.3 0.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.629 -0.714 . . . . 0.37 109.085 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.42 50.92 9.91 Favored Glycine 0 C--N 1.338 0.64 0 O-C-N 123.648 0.593 . . . . 0.34 113.665 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -87.53 133.63 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.0 -0.371 . . . . 2.17 110.0 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -100.97 153.83 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.983 -0.553 . . . . 3.96 110.496 -177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -141.63 161.08 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.31 110.141 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -113.18 2.63 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.253 0.549 . . . . 1.94 110.094 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 13.4 ptm180 -139.78 135.13 32.73 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.592 0.711 . . . . 3.33 110.299 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 p -67.6 -37.62 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.864 -1.062 . . . . 1.46 112.492 -170.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -64.9 -31.26 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 2.08 110.444 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 9.4 tp10 -72.58 -43.42 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 1.74 109.762 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 3' ' ' PHE . 40.6 tp -61.94 -46.95 87.07 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.345 -0.389 . . . . 1.12 110.566 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 34.7 tt0 -55.68 -50.43 70.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.171 0.51 . . . . 2.84 110.199 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 47.7 ttt180 -57.47 -44.78 85.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.243 -0.889 . . . . 4.57 110.564 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.633 ' O ' HG21 ' A' ' 26' ' ' THR . 49.5 t60 -64.52 -42.93 95.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.851 -0.613 . . . . 0.25 111.085 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.4 mtmt -57.0 -27.24 61.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.88 0.371 . . . . 2.23 110.889 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 99.7 mtt180 -63.75 -16.41 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.79 -0.641 . . . . 3.23 111.871 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 23' ' ' HIS . 2.9 t -86.9 -20.3 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 1.79 110.628 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -90.73 -32.58 16.1 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.954 0.407 . . . . 0.83 110.81 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.6 p -108.56 59.29 0.61 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.145 0.498 . . . . 2.24 110.107 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.39 73.45 0.12 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.725 -0.67 . . . . 2.9 111.512 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.05 -53.39 10.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.007 0.432 . . . . 6.35 110.087 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.94 -72.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.151 0.501 . . . . 8.86 109.943 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.102 -0.499 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 29.3 mmt180 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.581 0.229 . . . . 5.29 110.618 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 41.1 Cg_endo -68.51 -21.48 40.05 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.01 2.473 . . . . 0.84 113.651 -175.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -117.67 151.88 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.644 0.259 . . . . 0.42 110.38 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.3 128.91 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.372 -0.831 . . . . 1.46 110.233 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -96.67 17.0 17.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 1.41 111.794 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -77.93 136.62 38.04 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.942 0.401 . . . . 0.8 110.072 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -53.67 129.54 33.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.977 -1.011 . . . . 1.57 111.726 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 72.95 -11.75 0.84 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.514 0.726 . . . . 3.02 112.471 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.51 -70.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.696 -0.483 . . . . 0.37 109.696 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.45 44.25 36.27 Favored Glycine 0 C--N 1.335 0.506 0 O-C-N 123.433 0.458 . . . . 0.34 113.251 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -84.02 123.9 30.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.106 -0.331 . . . . 2.17 110.106 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.58 148.76 25.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.447 -0.342 . . . . 3.96 111.355 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 1' ' ' ARG . 95.5 m-85 -139.29 170.18 16.41 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.096 0.474 . . . . 0.31 110.966 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.462 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 12.8 t -118.4 -10.17 10.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.889 -0.596 . . . . 1.94 111.068 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.8 149.69 50.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.95 0.405 . . . . 3.33 110.594 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.6 p -70.45 -46.49 63.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.93 -0.577 . . . . 1.46 110.92 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.57 -32.01 72.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.483 . . . . 2.08 110.044 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 43.2 tt0 -62.2 -48.04 81.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.246 -0.888 . . . . 1.74 110.23 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.8 tp -66.95 -45.09 78.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 1.12 111.41 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' SER . 17.1 mm-40 -58.5 -45.64 88.35 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.001 0.429 . . . . 2.84 110.517 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 35.9 ttm180 -57.96 -47.34 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.354 -0.839 . . . . 4.57 110.04 177.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.546 ' O ' HG21 ' A' ' 26' ' ' THR . 41.3 t60 -58.78 -48.23 81.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.39 -0.823 . . . . 0.25 111.075 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 50.4 mtpt -56.81 -26.11 57.34 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.027 0.442 . . . . 2.23 111.55 -176.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -66.69 -17.97 65.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.94 -0.573 . . . . 3.23 111.3 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 23' ' ' HIS . 1.6 t -78.08 -15.63 58.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.687 0.28 . . . . 1.79 110.515 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.248 0.547 . . . . 0.83 110.522 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -122.04 15.8 10.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 2.24 111.162 -171.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.45 -29.0 74.07 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.236 -0.983 . . . . 2.9 111.405 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.02 16.72 21.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.995 0.426 . . . . 6.35 110.495 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.63 -85.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 8.86 110.425 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.678 -0.237 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.149 -0.315 . . . . 5.29 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 31.8 Cg_exo -62.67 -43.29 21.83 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.741 2.294 . . . . 0.84 111.633 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 91.0 m-85 -135.71 147.94 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.42 108.695 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -44.86 92.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.945 -1.025 . . . . 1.46 110.856 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m 66.98 -5.59 0.66 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.505 -0.77 . . . . 1.41 112.802 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -64.35 137.4 57.88 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.8 109.719 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -58.6 142.17 50.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.687 0.617 . . . . 1.57 110.982 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 64.4 23.0 12.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.608 -0.724 . . . . 3.02 111.131 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -141.15 -71.71 0.35 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.37 110.487 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.14 47.36 49.63 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.475 -0.393 . . . . 0.34 113.42 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -86.12 139.83 30.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.765 0.282 . . . . 2.17 110.628 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -100.95 152.69 20.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 3.96 110.869 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 91.6 m-85 -139.68 154.78 47.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.31 110.438 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 18.8 p -101.17 -14.59 17.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.758 -0.656 . . . . 1.94 111.089 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 11.7 ptm180 -135.34 142.67 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.303 0.573 . . . . 3.33 110.274 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 20.6 p -68.88 -31.18 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.404 -0.816 . . . . 1.46 112.051 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.2 m-20 -64.18 -35.34 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 2.08 110.351 178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 4.8 tp10 -67.37 -42.64 83.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 1.74 109.486 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.68 -43.12 99.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.402 -0.817 . . . . 1.12 110.578 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 14.7 mm100 -59.89 -46.95 87.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.639 -0.255 . . . . 2.84 111.195 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 91.8 mtt180 -57.82 -42.93 85.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.653 . . . . 4.57 109.717 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 48.6 t60 -67.87 -41.65 82.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.565 -1.198 . . . . 0.25 111.39 -176.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -58.23 -37.2 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.3 0.571 . . . . 2.23 110.091 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 77.7 mtp180 -69.43 -14.11 62.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 3.23 110.786 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.7 m -77.58 -39.32 46.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 1.79 110.451 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -68.51 -40.79 80.69 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.894 0.378 . . . . 0.83 110.407 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -70.89 -16.64 62.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.125 -0.489 . . . . 2.24 110.587 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -42.56 17.81 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.82 -0.705 . . . . 2.9 111.535 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.49 -47.95 37.25 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.298 0.57 . . . . 6.35 110.071 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -108.79 90.08 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.556 -0.747 . . . . 8.86 110.105 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.094 -0.503 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.481 ' H3 ' ' HD3' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.209 -0.293 . . . . 5.29 110.209 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 3.0 Cg_exo -75.84 -32.8 4.22 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.571 2.181 . . . . 0.84 111.622 173.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 17' ' ' SER . 65.2 m-85 -133.93 146.32 50.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.037 -0.529 . . . . 0.42 110.089 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 t -76.39 112.4 12.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.794 -0.639 . . . . 1.46 109.665 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.7 p -85.36 14.27 5.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.479 -0.328 . . . . 1.41 111.695 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -68.29 134.55 50.52 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.237 -0.653 . . . . 0.8 109.237 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -58.41 138.04 56.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.57 111.276 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 69.89 0.61 3.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.447 -0.797 . . . . 3.02 111.96 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.5 t -105.26 -75.52 0.62 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.999 -0.281 . . . . 0.37 110.649 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.17 60.3 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.245 -0.502 . . . . 0.34 113.676 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.25 132.62 35.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.722 -0.473 . . . . 2.17 109.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -94.85 145.38 24.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.518 -0.31 . . . . 3.96 111.594 -173.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -140.65 147.71 39.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.224 -0.444 . . . . 0.31 110.308 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.2 m -97.98 -9.23 26.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.206 0.527 . . . . 1.94 110.439 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 12.2 ptm180 -131.49 133.99 45.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 3.33 110.557 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 11.4 t -67.71 -30.02 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.276 -0.875 . . . . 1.46 111.148 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.1 -35.69 81.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 2.08 110.953 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 7.4 tp10 -72.19 -37.96 69.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.417 -0.586 . . . . 1.74 109.417 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.8 tp -64.39 -47.57 78.74 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.12 110.594 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 95.8 mt-30 -55.81 -51.04 68.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.158 0.504 . . . . 2.84 110.409 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 43.0 ttt180 -55.05 -46.13 75.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.251 -0.886 . . . . 4.57 110.419 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.484 ' O ' HG22 ' A' ' 26' ' ' THR . 39.8 t60 -62.29 -44.65 96.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.462 -0.79 . . . . 0.25 111.088 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 30.9 mtpp -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.146 0.498 . . . . 2.23 110.552 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 80.6 mtp180 -71.89 -7.78 50.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 3.23 111.448 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -80.48 -28.86 37.43 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.498 -0.556 . . . . 1.79 109.498 175.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -81.0 -40.36 24.41 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.418 -0.586 . . . . 0.83 109.418 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.514 ' OG1' ' HA ' ' A' ' 25' ' ' ARG . 25.6 p -83.25 15.99 2.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.482 -0.781 . . . . 2.24 110.815 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.48 17.91 23.25 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.789 -0.642 . . . . 2.9 111.832 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.97 96.72 0.04 OUTLIER 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.382 0.611 . . . . 6.35 111.951 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -94.18 83.26 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.558 -0.747 . . . . 8.86 110.432 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 116.204 -0.453 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.422 0.153 . . . . 5.29 110.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.93 -37.21 55.68 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.84 111.592 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 92.2 m-85 -137.15 152.35 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.13 -0.693 . . . . 0.42 109.13 176.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.567 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 12.9 t -78.93 121.37 24.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.437 -0.801 . . . . 1.46 109.901 174.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -91.57 24.71 2.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.859 0.361 . . . . 1.41 111.794 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -83.92 132.79 34.74 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.544 -0.539 . . . . 0.8 109.544 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 t -60.96 137.26 58.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.799 . . . . 1.57 110.806 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 65.69 16.92 10.71 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.454 -0.793 . . . . 3.02 111.388 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.4 t -121.26 -74.84 0.6 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.396 -0.594 . . . . 0.37 109.396 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 51.21 37.99 39.38 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 121.304 -0.474 . . . . 0.34 113.639 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.2 139.77 50.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.899 0.349 . . . . 2.17 110.498 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -98.75 144.1 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 3.96 111.039 -172.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -140.5 157.46 45.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.091 0.472 . . . . 0.31 110.722 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -111.96 -1.26 15.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.01 -0.541 . . . . 1.94 110.145 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -128.29 134.0 48.85 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.852 -0.613 . . . . 3.33 110.373 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.471 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 11.8 p -69.15 -36.27 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 1.46 110.917 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.162 0.506 . . . . 2.08 110.039 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.23 -46.2 88.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.478 -0.783 . . . . 1.74 109.504 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.6 tp -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.491 -0.777 . . . . 1.12 110.989 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.2 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 2.84 110.863 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.76 -47.56 79.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 4.57 109.789 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.21 -42.88 92.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.622 -0.717 . . . . 0.25 111.169 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.2 mtmt -59.69 -34.21 72.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.748 0.309 . . . . 2.23 110.403 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -68.94 -5.45 21.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 3.23 111.042 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 m -79.58 -36.89 37.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.431 . . . . 1.79 109.935 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -81.8 -48.73 11.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.046 0.45 . . . . 0.83 110.113 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' HB ' ' N ' ' A' ' 32' ' ' NH2 . 35.3 p -79.05 -51.66 9.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.716 -0.674 . . . . 2.24 111.507 -173.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.7 -108.11 0.97 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.977 -0.63 . . . . 2.9 111.8 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -84.53 -27.41 27.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.849 0.356 . . . . 6.35 110.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -140.8 -75.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.55 . . . . 8.86 110.35 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . 0.407 ' N ' ' HB ' ' A' ' 28' ' ' THR . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 6.6 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.214 -0.291 . . . . 5.29 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.66 -47.82 2.58 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.693 2.262 . . . . 0.84 111.598 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.488 ' HB3' HD23 ' A' ' 20' ' ' LEU . 97.4 m-85 -132.65 151.95 51.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.786 -0.643 . . . . 0.42 109.659 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.5 p -72.44 -20.51 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.433 . . . . 1.46 111.041 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p 50.05 26.48 2.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.096 -0.957 . . . . 1.41 112.798 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -88.34 140.54 29.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.057 -0.349 . . . . 0.8 110.057 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 136.58 55.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.844 -0.616 . . . . 1.57 111.259 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 69.53 10.86 7.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.608 -0.724 . . . . 3.02 111.843 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.72 -70.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 121.083 -0.247 . . . . 0.37 110.575 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 51.88 20.13 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 123.323 0.39 . . . . 0.34 113.197 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 52.8 tttp -88.37 134.83 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.783 0.325 . . . . 2.17 110.63 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -100.66 146.37 27.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 3.96 111.371 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -137.02 162.72 32.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.31 110.737 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 p -106.71 -13.6 15.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.433 -0.803 . . . . 1.94 110.161 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -118.18 135.06 54.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.495 -0.775 . . . . 3.33 110.824 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.47 -38.75 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 1.46 111.294 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.5 -32.86 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.076 0.465 . . . . 2.08 109.935 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.55 -45.25 76.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.518 -0.765 . . . . 1.74 109.435 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 3' ' ' PHE . 33.8 tp -58.6 -47.69 83.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.711 -0.677 . . . . 1.12 110.765 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.1 mm100 -59.39 -45.8 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 2.84 110.947 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -57.44 -47.61 81.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.263 0.554 . . . . 4.57 109.595 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' THR . 49.1 t60 -61.67 -43.32 99.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.25 110.6 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.75 -29.84 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 2.23 111.034 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.9 mtt180 -64.82 -17.85 64.6 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.585 -0.28 . . . . 3.23 111.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.5 t -85.26 -18.14 34.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.54 -0.464 . . . . 1.79 110.188 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -89.51 -59.78 2.12 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.83 109.836 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -91.92 72.11 5.62 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.513 -0.767 . . . . 2.24 109.902 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.48 24.51 1.53 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.636 -0.711 . . . . 2.9 111.947 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 59.69 46.01 12.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.849 0.459 . . . . 6.35 111.503 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -100.12 88.07 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.308 0.575 . . . . 8.86 110.196 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.922 -0.581 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.985 0.422 . . . . 5.29 110.157 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.84 -44.74 5.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.664 2.242 . . . . 0.84 112.338 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 74.5 m-85 -126.67 146.15 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.42 110.307 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.93 107.49 10.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 1.46 109.734 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 p -82.74 25.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 1.41 112.086 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -79.82 120.68 24.41 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.8 108.638 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 37.3 m -54.51 144.63 20.71 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.207 0.317 . . . . 1.57 111.059 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 8' ' ' SER . 54.5 t80 76.48 -24.32 0.22 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.813 0.696 . . . . 3.02 111.356 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 8' ' ' SER . 43.5 t -87.04 -74.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.205 -0.294 . . . . 0.37 110.205 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.64 45.73 76.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.431 -0.414 . . . . 0.34 112.981 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -90.94 128.71 36.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.171 -0.307 . . . . 2.17 110.171 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -95.74 149.92 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.515 -0.311 . . . . 3.96 111.261 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -137.06 156.04 48.91 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.227 0.537 . . . . 0.31 111.038 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -101.39 -15.73 17.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 1.94 110.813 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 5.7 ptp180 -132.97 139.24 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.665 . . . . 3.33 110.431 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.638 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 18.3 p -70.14 -32.92 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.305 -0.861 . . . . 1.46 112.182 -171.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.73 -29.79 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.419 . . . . 2.08 109.956 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.581 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 6.6 tp10 -72.91 -39.36 66.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 1.74 109.668 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.9 tp -63.92 -45.21 90.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.95 -0.568 . . . . 1.12 110.465 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -63.35 -46.34 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.183 0.516 . . . . 2.84 110.706 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 46.0 ttt180 -56.61 -41.99 77.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.466 -0.788 . . . . 4.57 109.787 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -66.06 -41.37 90.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.21 -0.904 . . . . 0.25 111.311 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 97.5 mttt -52.69 -33.71 48.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.032 0.444 . . . . 2.23 110.989 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 25' ' ' ARG . 63.5 mtt180 -72.41 -0.19 11.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.59 -0.732 . . . . 3.23 111.899 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -90.21 -22.99 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.093 -0.336 . . . . 1.79 110.093 175.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -87.69 -41.42 13.37 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.313 0.578 . . . . 0.83 109.994 177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -99.07 25.5 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.634 -0.712 . . . . 2.24 111.156 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.27 -160.61 25.34 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.536 -0.626 . . . . 2.9 111.536 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 57.82 50.98 9.73 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.386 0.612 . . . . 6.35 110.499 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.13 -69.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 8.86 110.391 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.162 -0.472 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 4.8 ptp180 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.066 0.46 . . . . 5.29 110.559 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.32 -41.63 32.92 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.631 2.22 . . . . 0.84 112.017 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 97.3 m-85 -138.09 156.83 47.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.42 110.247 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.96 119.21 23.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.705 -0.679 . . . . 1.46 109.311 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -91.23 8.11 37.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.502 -0.317 . . . . 1.41 111.496 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -66.29 129.7 40.7 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.821 -0.437 . . . . 0.8 109.821 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -57.73 142.82 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.369 -0.832 . . . . 1.57 110.877 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 68.26 1.31 2.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.525 0.73 . . . . 3.02 111.942 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -108.64 -74.26 0.66 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.105 -0.332 . . . . 0.37 110.105 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.8 58.39 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.201 -0.524 . . . . 0.34 113.271 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 64.9 tttp -90.78 132.71 35.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.806 -0.232 . . . . 2.17 110.572 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -89.27 151.54 22.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.721 0.296 . . . . 3.96 111.35 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -141.12 161.2 38.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.154 -0.476 . . . . 0.31 110.455 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -107.2 -12.36 15.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.979 -0.555 . . . . 1.94 111.143 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 6.6 ptp180 -140.11 146.37 38.8 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.293 0.568 . . . . 3.33 110.739 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.7 p -70.35 -36.23 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.046 -0.979 . . . . 1.46 111.908 -172.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.3 -38.97 88.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 2.08 110.708 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 5.7 tp10 -65.97 -46.36 78.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.541 -0.54 . . . . 1.74 109.541 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.3 tp -59.95 -46.92 87.85 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.833 -0.621 . . . . 1.12 111.162 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 98.1 mt-30 -62.0 -45.35 93.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.495 -0.321 . . . . 2.84 111.423 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 22' ' ' ARG . 26.3 mtm180 -61.81 -40.22 94.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 4.57 109.699 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 30.0 t60 -62.31 -44.94 95.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.498 -0.774 . . . . 0.25 110.894 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 58.2 mtpt -63.05 -28.72 70.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 2.23 111.03 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 34.4 mtp180 -64.29 -21.91 66.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 3.23 110.754 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 m -73.09 -31.9 64.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.633 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -78.51 -45.34 22.19 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.274 0.559 . . . . 0.83 109.588 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 p -89.5 59.18 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.38 -0.827 . . . . 2.24 111.272 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.16 -135.91 5.68 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.647 -0.787 . . . . 2.9 111.925 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.92 -19.3 60.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.977 0.417 . . . . 6.35 110.678 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -120.34 -82.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.067 -0.515 . . . . 8.86 110.063 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.667 -0.242 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 110.468 -0.197 . . . . 5.29 110.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.94 -44.25 16.77 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.541 2.161 . . . . 0.84 111.164 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 17' ' ' SER . 91.4 m-85 -127.59 140.63 51.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.758 -0.83 . . . . 0.42 108.758 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 44.2 t -79.75 112.42 17.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.662 . . . . 1.46 109.265 172.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -92.14 18.77 7.63 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.991 0.424 . . . . 1.41 111.509 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -66.14 143.36 57.34 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.247 -0.433 . . . . 0.8 110.012 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -58.67 135.33 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.57 110.965 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 66.83 9.67 6.96 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.532 -0.758 . . . . 3.02 111.953 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.6 t -111.4 -81.61 0.58 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.937 -0.305 . . . . 0.37 110.614 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 58.67 35.14 79.86 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.809 -0.71 . . . . 0.34 113.312 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -83.92 136.29 34.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.907 0.354 . . . . 2.17 110.233 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.26 150.74 23.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.869 0.366 . . . . 3.96 111.368 -175.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.45 157.98 45.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.31 110.114 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -95.33 -18.75 20.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.974 -0.557 . . . . 1.94 110.681 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -136.1 144.81 45.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.459 0.647 . . . . 3.33 110.714 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 31.6 t -70.77 -27.69 64.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.214 -0.903 . . . . 1.46 111.418 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -63.29 -37.42 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 2.08 109.967 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.27 -44.71 74.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.198 -0.91 . . . . 1.74 109.44 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.516 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 40.0 tp -60.39 -48.17 82.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.768 -0.651 . . . . 1.12 111.282 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.3 mm-40 -63.45 -42.58 98.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.711 0.291 . . . . 2.84 111.087 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -64.57 -37.96 89.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.688 -0.486 . . . . 4.57 109.688 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.536 ' O ' HG21 ' A' ' 26' ' ' THR . 22.0 t60 -62.58 -47.74 82.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.626 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 56.8 mtpt -57.23 -26.95 61.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.167 0.508 . . . . 2.23 111.118 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 30.3 mmm180 -67.01 -13.18 61.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.75 -0.659 . . . . 3.23 111.464 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -83.61 -26.51 29.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.643 0.258 . . . . 1.79 110.523 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -78.91 -43.87 23.91 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.214 0.531 . . . . 0.83 109.745 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 p -74.92 -30.75 61.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 2.24 110.793 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 41.49 2.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.984 -0.627 . . . . 2.9 112.038 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -110.57 143.91 40.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.768 -0.456 . . . . 6.35 109.768 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -124.14 83.07 2.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.994 -0.548 . . . . 8.86 109.71 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.459 -0.337 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.169 -0.308 . . . . 5.29 110.169 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.23 -47.49 2.26 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.513 2.142 . . . . 0.84 112.785 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 94.0 m-85 -135.23 150.12 50.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.42 111.167 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . 0.406 ' HD3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 4' ' ' NLE . 14.9 t -71.27 114.7 9.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.125 -0.489 . . . . 1.46 110.453 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -86.85 23.22 1.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.919 -0.582 . . . . 1.41 111.927 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -81.23 133.15 35.4 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.68 -0.489 . . . . 0.8 109.68 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -59.23 135.96 57.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.352 -0.84 . . . . 1.57 111.281 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 66.0 14.66 9.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.508 -0.769 . . . . 3.02 111.719 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -115.84 -75.87 0.58 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.74 -0.466 . . . . 0.37 109.74 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.83 73.85 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.35 -0.452 . . . . 0.34 114.028 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 3.2 ttmp? -84.33 131.61 34.69 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.984 -0.376 . . . . 2.17 109.984 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -93.79 149.46 21.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.806 0.336 . . . . 3.96 111.821 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -140.0 161.7 36.96 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.197 0.523 . . . . 0.31 110.812 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.1 p -103.48 -18.32 14.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.481 -0.781 . . . . 1.94 111.781 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -134.9 147.77 49.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.551 0.691 . . . . 3.33 110.864 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 12.1 p -69.07 -34.2 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.918 -1.037 . . . . 1.46 112.318 -172.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.74 -35.92 82.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 2.08 110.359 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.25 -48.33 65.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.02 -0.536 . . . . 1.74 109.794 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.1 tp -58.54 -42.42 87.77 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.046 -0.524 . . . . 1.12 110.58 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 24.1 tp60 -63.45 -45.27 91.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 2.84 110.754 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.11 -45.43 87.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.196 0.522 . . . . 4.57 109.685 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 26' ' ' THR . 47.2 t60 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.233 -0.894 . . . . 0.25 111.189 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 29.6 mtpp -56.37 -29.42 61.4 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.184 0.516 . . . . 2.23 110.635 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 86.1 mtt180 -70.88 -6.09 35.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 3.23 111.417 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -84.85 -20.33 31.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.16 -0.311 . . . . 1.79 110.16 176.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -93.63 -45.64 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.667 -0.494 . . . . 0.83 109.667 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 m -99.9 88.99 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.953 -0.567 . . . . 2.24 110.549 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.67 133.96 6.06 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.416 -0.674 . . . . 2.9 111.416 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -101.59 9.78 40.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.748 0.308 . . . . 6.35 111.366 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -121.52 -75.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.905 0.384 . . . . 8.86 110.463 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 116.476 -0.329 . . . . 6.6 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo . . . . . 0 N--CA 1.462 -0.34 0 N-CA-C 110.726 -0.528 . . . . 0.64 110.726 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.58 ' HB3' HD22 ' A' ' 20' ' ' LEU . 92.2 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.576 -0.738 . . . . 0.34 109.681 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.812 0.339 . . . . 1.46 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p 53.25 19.73 1.63 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 1.08 113.026 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -80.52 138.49 36.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.869 -0.419 . . . . 0.69 109.869 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -56.79 129.04 39.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 1.21 111.662 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 68.47 23.96 7.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.398 -0.819 . . . . 2.92 111.647 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -139.02 -67.3 0.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.629 -0.714 . . . . 0.27 109.085 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.42 50.92 9.91 Favored Glycine 0 C--N 1.338 0.64 0 O-C-N 123.648 0.593 . . . . 0.34 113.665 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -87.53 133.63 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.0 -0.371 . . . . 1.58 110.0 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -100.97 153.83 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.983 -0.553 . . . . 3.5 110.496 -177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -141.63 161.08 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.25 110.141 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -113.18 2.63 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.253 0.549 . . . . 1.39 110.094 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 13.4 ptm180 -139.78 135.13 32.73 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.592 0.711 . . . . 2.76 110.299 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 p -67.6 -37.62 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.864 -1.062 . . . . 1.27 112.492 -170.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -64.9 -31.26 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 2.08 110.444 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 9.4 tp10 -72.58 -43.42 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 1.74 109.762 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 3' ' ' PHE . 40.6 tp -61.94 -46.95 87.07 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.26 110.566 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 34.7 tt0 -55.68 -50.43 70.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.171 0.51 . . . . 2.43 110.199 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 47.7 ttt180 -57.47 -44.78 85.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.243 -0.889 . . . . 3.93 110.564 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -64.52 -42.93 95.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.851 -0.613 . . . . 0.25 111.085 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.4 mtmt -57.0 -27.24 61.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.88 0.371 . . . . 1.57 110.889 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 99.7 mtt180 -63.75 -16.41 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.79 -0.641 . . . . 2.76 111.871 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 23' ' ' HIS . 2.9 t -86.9 -20.3 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 1.27 110.628 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 120.954 0.407 . . . . 0.83 110.81 179.58 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 41.1 Cg_endo . . . . . 0 CA--C 1.528 0.196 0 N-CA-C 113.651 0.596 . . . . 0.64 113.651 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.644 0.259 . . . . 0.34 110.38 -178.52 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.813 0.339 . . . . 1.46 110.233 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -96.67 17.0 17.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 1.08 111.794 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -77.93 136.62 38.04 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.942 0.401 . . . . 0.69 110.072 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -53.67 129.54 33.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.977 -1.011 . . . . 1.21 111.726 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 72.95 -11.75 0.84 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.514 0.726 . . . . 2.92 112.471 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.51 -70.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.696 -0.483 . . . . 0.27 109.696 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.45 44.25 36.27 Favored Glycine 0 C--N 1.335 0.506 0 O-C-N 123.433 0.458 . . . . 0.34 113.251 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -84.02 123.9 30.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.106 -0.331 . . . . 1.58 110.106 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.58 148.76 25.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.447 -0.342 . . . . 3.5 111.355 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.41 ' CD2' ' HG2' ' A' ' 19' ' ' GLU . 95.5 m-85 -139.29 170.18 16.41 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.096 0.474 . . . . 0.25 110.966 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.464 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 12.8 t -118.4 -10.17 10.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.889 -0.596 . . . . 1.39 111.068 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 15' ' ' THR . 99.8 mtt180 -128.8 149.69 50.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.95 0.405 . . . . 2.76 110.594 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.6 p -70.45 -46.49 63.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.93 -0.577 . . . . 1.27 110.92 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.57 -32.01 72.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.483 . . . . 2.08 110.044 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 43.2 tt0 -62.2 -48.04 81.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.246 -0.888 . . . . 1.74 110.23 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.8 tp -66.95 -45.09 78.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.26 111.41 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' SER . 17.1 mm-40 -58.5 -45.64 88.35 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.001 0.429 . . . . 2.43 110.517 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 22' ' ' ARG . 35.9 ttm180 -57.96 -47.34 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.354 -0.839 . . . . 3.93 110.04 177.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . 41.3 t60 -58.78 -48.23 81.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.39 -0.823 . . . . 0.25 111.075 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 50.4 mtpt -56.81 -26.11 57.34 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.027 0.442 . . . . 1.57 111.55 -176.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -66.69 -17.97 65.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.94 -0.573 . . . . 2.76 111.3 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.6 t -78.08 -15.63 58.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.687 0.28 . . . . 1.27 110.515 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.248 0.547 . . . . 0.83 110.522 176.308 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 121.208 0.42 . . . . 0.64 111.633 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 91.0 m-85 . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.34 108.695 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.46 110.856 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m 66.98 -5.59 0.66 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.505 -0.77 . . . . 1.08 112.802 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -64.35 137.4 57.88 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.69 109.719 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -58.6 142.17 50.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.687 0.617 . . . . 1.21 110.982 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 64.4 23.0 12.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.131 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -141.15 -71.71 0.35 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.27 110.487 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.14 47.36 49.63 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.475 -0.393 . . . . 0.34 113.42 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -86.12 139.83 30.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.765 0.282 . . . . 1.58 110.628 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -100.95 152.69 20.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 3.5 110.869 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 91.6 m-85 -139.68 154.78 47.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.25 110.438 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 p -101.17 -14.59 17.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.758 -0.656 . . . . 1.39 111.089 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 11.7 ptm180 -135.34 142.67 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.303 0.573 . . . . 2.76 110.274 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 20.6 p -68.88 -31.18 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.404 -0.816 . . . . 1.27 112.051 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.2 m-20 -64.18 -35.34 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 2.08 110.351 178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 4.8 tp10 -67.37 -42.64 83.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 1.74 109.486 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.68 -43.12 99.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.26 110.578 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 14.7 mm100 -59.89 -46.95 87.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.639 -0.255 . . . . 2.43 111.195 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 91.8 mtt180 -57.82 -42.93 85.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.653 . . . . 3.93 109.717 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 48.6 t60 -67.87 -41.65 82.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.565 -1.198 . . . . 0.25 111.39 -176.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -58.23 -37.2 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.3 0.571 . . . . 1.57 110.091 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 77.7 mtp180 -69.43 -14.11 62.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 2.76 110.786 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.7 m -77.58 -39.32 46.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 1.27 110.451 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 120.894 0.378 . . . . 0.83 110.407 178.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 3.0 Cg_exo . . . . . 0 N--CA 1.46 -0.481 0 CA-C-O 120.897 0.29 . . . . 0.64 111.622 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.455 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 116.037 -0.529 . . . . 0.34 110.089 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.665 -0.494 . . . . 1.46 109.665 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.7 p -85.36 14.27 5.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.479 -0.328 . . . . 1.08 111.695 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -68.29 134.55 50.52 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.237 -0.653 . . . . 0.69 109.237 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -58.41 138.04 56.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.21 111.276 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 69.89 0.61 3.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.447 -0.797 . . . . 2.92 111.96 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.5 t -105.26 -75.52 0.62 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.999 -0.281 . . . . 0.27 110.649 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.17 60.3 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.245 -0.502 . . . . 0.34 113.676 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.25 132.62 35.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.722 -0.473 . . . . 1.58 109.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -94.85 145.38 24.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.518 -0.31 . . . . 3.5 111.594 -173.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -140.65 147.71 39.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.224 -0.444 . . . . 0.25 110.308 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 11.2 m -97.98 -9.23 26.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.206 0.527 . . . . 1.39 110.439 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 12.2 ptm180 -131.49 133.99 45.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 2.76 110.557 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 11.4 t -67.71 -30.02 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.276 -0.875 . . . . 1.27 111.148 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.1 -35.69 81.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 2.08 110.953 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 7.4 tp10 -72.19 -37.96 69.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.417 -0.586 . . . . 1.74 109.417 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.8 tp -64.39 -47.57 78.74 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.26 110.594 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 95.8 mt-30 -55.81 -51.04 68.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.158 0.504 . . . . 2.43 110.409 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 43.0 ttt180 -55.05 -46.13 75.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.251 -0.886 . . . . 3.93 110.419 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' HG22 ' A' ' 26' ' ' THR . 39.8 t60 -62.29 -44.65 96.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.462 -0.79 . . . . 0.25 111.088 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 30.9 mtpp -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.146 0.498 . . . . 1.57 110.552 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 80.6 mtp180 -71.89 -7.78 50.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 2.76 111.448 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -80.48 -28.86 37.43 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.498 -0.556 . . . . 1.27 109.498 175.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 109.418 -0.586 . . . . 0.83 109.418 177.163 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 121.04 0.35 . . . . 0.64 111.592 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 92.2 m-85 . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.13 -0.693 . . . . 0.34 109.13 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.57 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 12.9 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.901 -0.407 . . . . 1.46 109.901 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -91.57 24.71 2.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.859 0.361 . . . . 1.08 111.794 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -83.92 132.79 34.74 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.544 -0.539 . . . . 0.69 109.544 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 t -60.96 137.26 58.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.799 . . . . 1.21 110.806 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 65.69 16.92 10.71 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.454 -0.793 . . . . 2.92 111.388 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.4 t -121.26 -74.84 0.6 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.396 -0.594 . . . . 0.27 109.396 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 51.21 37.99 39.38 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 121.304 -0.474 . . . . 0.34 113.639 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.2 139.77 50.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.899 0.349 . . . . 1.58 110.498 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 13' ' ' ARG . 50.1 mtt180 -98.75 144.1 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 3.5 111.039 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -140.5 157.46 45.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.091 0.472 . . . . 0.25 110.722 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -111.96 -1.26 15.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.145 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -128.29 134.0 48.85 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.852 -0.613 . . . . 2.76 110.373 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.483 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 11.8 p -69.15 -36.27 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 1.27 110.917 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.162 0.506 . . . . 2.08 110.039 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.23 -46.2 88.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.478 -0.783 . . . . 1.74 109.504 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.6 tp -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.491 -0.777 . . . . 0.26 110.989 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.2 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 2.43 110.863 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.76 -47.56 79.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 3.93 109.789 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.21 -42.88 92.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.622 -0.717 . . . . 0.25 111.169 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.2 mtmt -59.69 -34.21 72.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.748 0.309 . . . . 1.57 110.403 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -68.94 -5.45 21.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 2.76 111.042 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 m -79.58 -36.89 37.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.431 . . . . 1.27 109.935 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 121.046 0.45 . . . . 0.83 110.113 179.545 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 121.127 0.386 . . . . 0.64 111.598 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.555 ' HB3' HD22 ' A' ' 20' ' ' LEU . 97.4 m-85 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.786 -0.643 . . . . 0.34 109.659 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 121.008 0.433 . . . . 1.46 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p 50.05 26.48 2.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.096 -0.957 . . . . 1.08 112.798 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -88.34 140.54 29.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.057 -0.349 . . . . 0.69 110.057 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 136.58 55.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.844 -0.616 . . . . 1.21 111.259 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 69.53 10.86 7.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.843 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.72 -70.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 121.083 -0.247 . . . . 0.27 110.575 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 51.88 20.13 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 123.323 0.39 . . . . 0.34 113.197 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 52.8 tttp -88.37 134.83 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.783 0.325 . . . . 1.58 110.63 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -100.66 146.37 27.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 3.5 111.371 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -137.02 162.72 32.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.25 110.737 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 p -106.71 -13.6 15.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.433 -0.803 . . . . 1.39 110.161 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -118.18 135.06 54.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.495 -0.775 . . . . 2.76 110.824 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.47 -38.75 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 1.27 111.294 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.5 -32.86 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.076 0.465 . . . . 2.08 109.935 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.55 -45.25 76.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.518 -0.765 . . . . 1.74 109.435 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 3' ' ' PHE . 33.8 tp -58.6 -47.69 83.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.711 -0.677 . . . . 0.26 110.765 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 87.2 mm-40 -59.39 -45.8 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 2.43 110.947 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -57.44 -47.61 81.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.263 0.554 . . . . 3.93 109.595 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.629 ' O ' HG22 ' A' ' 26' ' ' THR . 49.1 t60 -61.67 -43.32 99.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.25 110.6 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.75 -29.84 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 1.57 111.034 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.9 mtt180 -64.82 -17.85 64.6 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.585 -0.28 . . . . 2.76 111.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.5 t -85.26 -18.14 34.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.54 -0.464 . . . . 1.27 110.188 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.83 109.836 176.019 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 3' ' ' PHE . 17.1 Cg_exo . . . . . 0 N--CA 1.464 -0.213 0 CA-C-O 120.884 0.285 . . . . 0.64 112.338 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 74.5 m-85 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.34 110.307 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.734 -0.469 . . . . 1.46 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 p -82.74 25.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 1.08 112.086 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -79.82 120.68 24.41 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.69 108.638 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 37.3 m -54.51 144.63 20.71 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.207 0.317 . . . . 1.21 111.059 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' SER . 54.5 t80 76.48 -24.32 0.22 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.813 0.696 . . . . 2.92 111.356 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -87.04 -74.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.205 -0.294 . . . . 0.27 110.205 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.64 45.73 76.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.431 -0.414 . . . . 0.34 112.981 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -90.94 128.71 36.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.171 -0.307 . . . . 1.58 110.171 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -95.74 149.92 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.515 -0.311 . . . . 3.5 111.261 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -137.06 156.04 48.91 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.227 0.537 . . . . 0.25 111.038 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -101.39 -15.73 17.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 1.39 110.813 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 5.7 ptp180 -132.97 139.24 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.665 . . . . 2.76 110.431 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.65 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 18.3 p -70.14 -32.92 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.305 -0.861 . . . . 1.27 112.182 -171.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.73 -29.79 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.419 . . . . 2.08 109.956 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 6.6 tp10 -72.91 -39.36 66.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 1.74 109.668 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.9 tp -63.92 -45.21 90.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.95 -0.568 . . . . 0.26 110.465 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -63.35 -46.34 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.183 0.516 . . . . 2.43 110.706 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.594 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 46.0 ttt180 -56.61 -41.99 77.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.466 -0.788 . . . . 3.93 109.787 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -66.06 -41.37 90.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.21 -0.904 . . . . 0.25 111.311 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 97.5 mttt -52.69 -33.71 48.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.032 0.444 . . . . 1.57 110.989 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 25' ' ' ARG . 63.5 mtt180 -72.41 -0.19 11.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.59 -0.732 . . . . 2.76 111.899 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -90.21 -22.99 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.093 -0.336 . . . . 1.27 110.093 175.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 121.313 0.578 . . . . 0.83 109.994 177.366 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.763 0.235 . . . . 0.64 112.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 97.3 m-85 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.34 110.247 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.311 -0.625 . . . . 1.46 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -91.23 8.11 37.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.502 -0.317 . . . . 1.08 111.496 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -66.29 129.7 40.7 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.821 -0.437 . . . . 0.69 109.821 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -57.73 142.82 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.369 -0.832 . . . . 1.21 110.877 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 68.26 1.31 2.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.525 0.73 . . . . 2.92 111.942 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -108.64 -74.26 0.66 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.105 -0.332 . . . . 0.27 110.105 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.8 58.39 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.201 -0.524 . . . . 0.34 113.271 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 64.9 tttp -90.78 132.71 35.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.806 -0.232 . . . . 1.58 110.572 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -89.27 151.54 22.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.721 0.296 . . . . 3.5 111.35 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -141.12 161.2 38.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.154 -0.476 . . . . 0.25 110.455 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -107.2 -12.36 15.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.979 -0.555 . . . . 1.39 111.143 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 6.6 ptp180 -140.11 146.37 38.8 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.293 0.568 . . . . 2.76 110.739 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.7 p -70.35 -36.23 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.046 -0.979 . . . . 1.27 111.908 -172.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.3 -38.97 88.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 2.08 110.708 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 5.7 tp10 -65.97 -46.36 78.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.541 -0.54 . . . . 1.74 109.541 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.3 tp -59.95 -46.92 87.85 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.833 -0.621 . . . . 0.26 111.162 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 98.1 mt-30 -62.0 -45.35 93.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.495 -0.321 . . . . 2.43 111.423 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 22' ' ' ARG . 26.3 mtm180 -61.81 -40.22 94.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 3.93 109.699 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.498 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 30.0 t60 -62.31 -44.94 95.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.498 -0.774 . . . . 0.25 110.894 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 58.2 mtpt -63.05 -28.72 70.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 1.57 111.03 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 34.4 mtp180 -64.29 -21.91 66.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 2.76 110.754 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 m -73.09 -31.9 64.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.234 -0.439 . . . . 1.27 110.633 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.274 0.559 . . . . 0.83 109.588 176.067 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo . . . . . 0 C--O 1.233 0.241 0 CA-C-O 121.158 0.399 . . . . 0.64 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 17' ' ' SER . 91.4 m-85 . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 108.758 -0.83 . . . . 0.34 108.758 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.456 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 44.2 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.265 -0.642 . . . . 1.46 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -92.14 18.77 7.63 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.991 0.424 . . . . 1.08 111.509 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -66.14 143.36 57.34 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.247 -0.433 . . . . 0.69 110.012 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -58.67 135.33 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.21 110.965 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 66.83 9.67 6.96 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.532 -0.758 . . . . 2.92 111.953 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.6 t -111.4 -81.61 0.58 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.937 -0.305 . . . . 0.27 110.614 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 58.67 35.14 79.86 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.809 -0.71 . . . . 0.34 113.312 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -83.92 136.29 34.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.907 0.354 . . . . 1.58 110.233 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.26 150.74 23.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.869 0.366 . . . . 3.5 111.368 -175.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.45 157.98 45.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.25 110.114 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -95.33 -18.75 20.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.974 -0.557 . . . . 1.39 110.681 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -136.1 144.81 45.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.459 0.647 . . . . 2.76 110.714 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.541 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 31.6 t -70.77 -27.69 64.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.214 -0.903 . . . . 1.27 111.418 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -63.29 -37.42 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 2.08 109.967 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.27 -44.71 74.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.198 -0.91 . . . . 1.74 109.44 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 40.0 tp -60.39 -48.17 82.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.26 111.282 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.3 mm-40 -63.45 -42.58 98.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.711 0.291 . . . . 2.43 111.087 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -64.57 -37.96 89.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.688 -0.486 . . . . 3.93 109.688 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 26' ' ' THR . 22.0 t60 -62.58 -47.74 82.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.626 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 56.8 mtpt -57.23 -26.95 61.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.167 0.508 . . . . 1.57 111.118 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 30.3 mmm180 -67.01 -13.18 61.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.75 -0.659 . . . . 2.76 111.464 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -83.61 -26.51 29.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.643 0.258 . . . . 1.27 110.523 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.214 0.531 . . . . 0.83 109.745 176.834 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.462 -0.357 0 N-CA-C 112.785 0.263 . . . . 0.64 112.785 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 94.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.34 111.167 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.997 0.427 . . . . 1.46 110.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -86.85 23.22 1.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.919 -0.582 . . . . 1.08 111.927 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -81.23 133.15 35.4 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.68 -0.489 . . . . 0.69 109.68 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -59.23 135.96 57.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.352 -0.84 . . . . 1.21 111.281 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 66.0 14.66 9.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.508 -0.769 . . . . 2.92 111.719 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -115.84 -75.87 0.58 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.74 -0.466 . . . . 0.27 109.74 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.83 73.85 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.35 -0.452 . . . . 0.34 114.028 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -84.33 131.61 34.69 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.984 -0.376 . . . . 1.58 109.984 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -93.79 149.46 21.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.806 0.336 . . . . 3.5 111.821 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -140.0 161.7 36.96 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.197 0.523 . . . . 0.25 110.812 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.1 p -103.48 -18.32 14.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.481 -0.781 . . . . 1.39 111.781 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -134.9 147.77 49.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.551 0.691 . . . . 2.76 110.864 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 12.1 p -69.07 -34.2 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.918 -1.037 . . . . 1.27 112.318 -172.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.74 -35.92 82.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 2.08 110.359 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.25 -48.33 65.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.02 -0.536 . . . . 1.74 109.794 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.1 tp -58.54 -42.42 87.77 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.26 110.58 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 24.1 tp60 -63.45 -45.27 91.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 2.43 110.754 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.11 -45.43 87.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.196 0.522 . . . . 3.93 109.685 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 26' ' ' THR . 47.2 t60 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.233 -0.894 . . . . 0.25 111.189 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 29.6 mtpp -56.37 -29.42 61.4 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.184 0.516 . . . . 1.57 110.635 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 86.1 mtt180 -70.88 -6.09 35.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 2.76 111.417 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -84.85 -20.33 31.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.16 -0.311 . . . . 1.27 110.16 176.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 109.667 -0.494 . . . . 0.83 109.667 177.559 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.765 0.317 . . . . 4.75 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.91 -46.56 4.67 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.126 1.884 . . . . 0.64 110.726 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.58 ' HB3' HD22 ' A' ' 20' ' ' LEU . 92.2 m-85 -126.36 150.8 48.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.576 -0.738 . . . . 0.34 109.681 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' NLE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.1 p -73.87 -22.47 59.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 1.46 110.93 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p 53.25 19.73 1.63 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 1.08 113.026 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -80.52 138.49 36.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.869 -0.419 . . . . 0.69 109.869 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -56.79 129.04 39.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 1.21 111.662 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 68.47 23.96 7.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.398 -0.819 . . . . 2.92 111.647 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -139.02 -67.3 0.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.629 -0.714 . . . . 0.27 109.085 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.42 50.92 9.91 Favored Glycine 0 C--N 1.338 0.64 0 O-C-N 123.648 0.593 . . . . 0.34 113.665 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -87.53 133.63 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.0 -0.371 . . . . 1.58 110.0 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 17.0 ptp180 -100.97 153.83 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.983 -0.553 . . . . 3.5 110.496 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -141.63 161.08 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.25 110.141 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -113.18 2.63 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.253 0.549 . . . . 1.39 110.094 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 13.4 ptm180 -139.78 135.13 32.73 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.592 0.711 . . . . 2.76 110.299 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 p -67.6 -37.62 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.864 -1.062 . . . . 1.27 112.492 -170.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -64.9 -31.26 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 2.08 110.444 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 9.4 tp10 -72.58 -43.42 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 1.74 109.762 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 3' ' ' PHE . 40.6 tp -61.94 -46.95 87.07 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.26 110.566 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 34.7 tt0 -55.68 -50.43 70.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.171 0.51 . . . . 2.43 110.199 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 47.7 ttt180 -57.47 -44.78 85.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.243 -0.889 . . . . 3.93 110.564 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -64.52 -42.93 95.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.851 -0.613 . . . . 0.25 111.085 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.4 mtmt -57.0 -27.24 61.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.88 0.371 . . . . 1.57 110.889 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 99.7 mtt180 -63.75 -16.41 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.79 -0.641 . . . . 2.76 111.871 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 23' ' ' HIS . 2.9 t -86.9 -20.3 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 1.27 110.628 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -90.73 -32.58 16.1 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.954 0.407 . . . . 0.83 110.81 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.6 p -108.56 59.29 0.61 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.145 0.498 . . . . 1.83 110.107 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.39 73.45 0.12 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.725 -0.67 . . . . 2.9 111.512 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.05 -53.39 10.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.007 0.432 . . . . 6.35 110.087 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.94 -72.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.151 0.501 . . . . 8.32 109.943 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.102 -0.499 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 29.3 mmt180 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.581 0.229 . . . . 4.75 110.618 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 41.1 Cg_endo -68.51 -21.48 40.05 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.01 2.473 . . . . 0.64 113.651 -175.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -117.67 151.88 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.644 0.259 . . . . 0.34 110.38 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.3 128.91 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.372 -0.831 . . . . 1.46 110.233 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -96.67 17.0 17.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 1.08 111.794 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -77.93 136.62 38.04 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.942 0.401 . . . . 0.69 110.072 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -53.67 129.54 33.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.977 -1.011 . . . . 1.21 111.726 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 72.95 -11.75 0.84 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.514 0.726 . . . . 2.92 112.471 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.51 -70.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.696 -0.483 . . . . 0.27 109.696 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.45 44.25 36.27 Favored Glycine 0 C--N 1.335 0.506 0 O-C-N 123.433 0.458 . . . . 0.34 113.251 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -84.02 123.9 30.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.106 -0.331 . . . . 1.58 110.106 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.58 148.76 25.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.447 -0.342 . . . . 3.5 111.355 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 1' ' ' ARG . 95.5 m-85 -139.29 170.18 16.41 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.096 0.474 . . . . 0.25 110.966 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.464 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 12.8 t -118.4 -10.17 10.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.889 -0.596 . . . . 1.39 111.068 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 15' ' ' THR . 99.8 mtt180 -128.8 149.69 50.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.95 0.405 . . . . 2.76 110.594 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.6 p -70.45 -46.49 63.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.93 -0.577 . . . . 1.27 110.92 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.57 -32.01 72.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.483 . . . . 2.08 110.044 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 43.2 tt0 -62.2 -48.04 81.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.246 -0.888 . . . . 1.74 110.23 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.8 tp -66.95 -45.09 78.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.26 111.41 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' SER . 17.1 mm-40 -58.5 -45.64 88.35 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.001 0.429 . . . . 2.43 110.517 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 22' ' ' ARG . 35.9 ttm180 -57.96 -47.34 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.354 -0.839 . . . . 3.93 110.04 177.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . 41.3 t60 -58.78 -48.23 81.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.39 -0.823 . . . . 0.25 111.075 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 50.4 mtpt -56.81 -26.11 57.34 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.027 0.442 . . . . 1.57 111.55 -176.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' HA3' ' A' ' 29' ' ' GLY . 56.2 mtp180 -66.69 -17.97 65.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.94 -0.573 . . . . 2.76 111.3 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.6 t -78.08 -15.63 58.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.687 0.28 . . . . 1.27 110.515 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.248 0.547 . . . . 0.83 110.522 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -122.04 15.8 10.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 1.83 111.162 -171.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 25' ' ' ARG . . . -66.45 -29.0 74.07 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.236 -0.983 . . . . 2.9 111.405 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.02 16.72 21.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.995 0.426 . . . . 6.35 110.495 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.63 -85.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 8.32 110.425 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.678 -0.237 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.149 -0.315 . . . . 4.75 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.67 -43.29 21.83 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.741 2.294 . . . . 0.64 111.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 91.0 m-85 -135.71 147.94 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.34 108.695 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -44.86 92.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.945 -1.025 . . . . 1.46 110.856 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m 66.98 -5.59 0.66 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.505 -0.77 . . . . 1.08 112.802 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -64.35 137.4 57.88 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.69 109.719 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -58.6 142.17 50.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.687 0.617 . . . . 1.21 110.982 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 64.4 23.0 12.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.131 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -141.15 -71.71 0.35 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.27 110.487 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.14 47.36 49.63 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.475 -0.393 . . . . 0.34 113.42 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -86.12 139.83 30.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.765 0.282 . . . . 1.58 110.628 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -100.95 152.69 20.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 3.5 110.869 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 91.6 m-85 -139.68 154.78 47.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.25 110.438 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 p -101.17 -14.59 17.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.758 -0.656 . . . . 1.39 111.089 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 11.7 ptm180 -135.34 142.67 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.303 0.573 . . . . 2.76 110.274 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 20.6 p -68.88 -31.18 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.404 -0.816 . . . . 1.27 112.051 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.2 m-20 -64.18 -35.34 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 2.08 110.351 178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 4.8 tp10 -67.37 -42.64 83.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 1.74 109.486 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.68 -43.12 99.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.26 110.578 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 14.7 mm100 -59.89 -46.95 87.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.639 -0.255 . . . . 2.43 111.195 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 91.8 mtt180 -57.82 -42.93 85.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.653 . . . . 3.93 109.717 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 48.6 t60 -67.87 -41.65 82.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.565 -1.198 . . . . 0.25 111.39 -176.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -58.23 -37.2 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.3 0.571 . . . . 1.57 110.091 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 77.7 mtp180 -69.43 -14.11 62.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 2.76 110.786 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.7 m -77.58 -39.32 46.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 1.27 110.451 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -68.51 -40.79 80.69 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.894 0.378 . . . . 0.83 110.407 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -70.89 -16.64 62.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.125 -0.489 . . . . 1.83 110.587 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -42.56 17.81 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.82 -0.705 . . . . 2.9 111.535 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.49 -47.95 37.25 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.298 0.57 . . . . 6.35 110.071 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -108.79 90.08 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.556 -0.747 . . . . 8.32 110.105 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.094 -0.503 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.209 -0.293 . . . . 4.75 110.209 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 3.0 Cg_exo -75.84 -32.8 4.22 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.571 2.181 . . . . 0.64 111.622 173.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.455 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m-85 -133.93 146.32 50.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.037 -0.529 . . . . 0.34 110.089 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 t -76.39 112.4 12.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.794 -0.639 . . . . 1.46 109.665 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.7 p -85.36 14.27 5.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.479 -0.328 . . . . 1.08 111.695 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -68.29 134.55 50.52 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.237 -0.653 . . . . 0.69 109.237 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -58.41 138.04 56.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.21 111.276 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 69.89 0.61 3.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.447 -0.797 . . . . 2.92 111.96 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.5 t -105.26 -75.52 0.62 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.999 -0.281 . . . . 0.27 110.649 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.17 60.3 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.245 -0.502 . . . . 0.34 113.676 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.25 132.62 35.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.722 -0.473 . . . . 1.58 109.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -94.85 145.38 24.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.518 -0.31 . . . . 3.5 111.594 -173.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -140.65 147.71 39.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.224 -0.444 . . . . 0.25 110.308 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 11.2 m -97.98 -9.23 26.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.206 0.527 . . . . 1.39 110.439 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 12.2 ptm180 -131.49 133.99 45.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 2.76 110.557 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 11.4 t -67.71 -30.02 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.276 -0.875 . . . . 1.27 111.148 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.1 -35.69 81.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 2.08 110.953 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 7.4 tp10 -72.19 -37.96 69.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.417 -0.586 . . . . 1.74 109.417 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.8 tp -64.39 -47.57 78.74 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.26 110.594 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 95.8 mt-30 -55.81 -51.04 68.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.158 0.504 . . . . 2.43 110.409 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 43.0 ttt180 -55.05 -46.13 75.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.251 -0.886 . . . . 3.93 110.419 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' HG22 ' A' ' 26' ' ' THR . 39.8 t60 -62.29 -44.65 96.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.462 -0.79 . . . . 0.25 111.088 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 30.9 mtpp -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.146 0.498 . . . . 1.57 110.552 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 80.6 mtp180 -71.89 -7.78 50.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 2.76 111.448 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -80.48 -28.86 37.43 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.498 -0.556 . . . . 1.27 109.498 175.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -81.0 -40.36 24.41 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.418 -0.586 . . . . 0.83 109.418 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 25' ' ' ARG . 25.6 p -83.25 15.99 2.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.482 -0.781 . . . . 1.83 110.815 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.48 17.91 23.25 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.789 -0.642 . . . . 2.9 111.832 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.97 96.72 0.04 OUTLIER 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.382 0.611 . . . . 6.35 111.951 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -94.18 83.26 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.558 -0.747 . . . . 8.32 110.432 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 116.204 -0.453 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.422 0.153 . . . . 4.75 110.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.93 -37.21 55.68 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.64 111.592 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 92.2 m-85 -137.15 152.35 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.13 -0.693 . . . . 0.34 109.13 176.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.57 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 12.9 t -78.93 121.37 24.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.437 -0.801 . . . . 1.46 109.901 174.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -91.57 24.71 2.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.859 0.361 . . . . 1.08 111.794 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -83.92 132.79 34.74 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.544 -0.539 . . . . 0.69 109.544 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 t -60.96 137.26 58.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.799 . . . . 1.21 110.806 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 65.69 16.92 10.71 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.454 -0.793 . . . . 2.92 111.388 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.4 t -121.26 -74.84 0.6 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.396 -0.594 . . . . 0.27 109.396 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 51.21 37.99 39.38 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 121.304 -0.474 . . . . 0.34 113.639 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.2 139.77 50.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.899 0.349 . . . . 1.58 110.498 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 13' ' ' ARG . 50.1 mtt180 -98.75 144.1 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 3.5 111.039 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -140.5 157.46 45.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.091 0.472 . . . . 0.25 110.722 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -111.96 -1.26 15.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.145 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -128.29 134.0 48.85 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.852 -0.613 . . . . 2.76 110.373 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.483 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 11.8 p -69.15 -36.27 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 1.27 110.917 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.162 0.506 . . . . 2.08 110.039 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.23 -46.2 88.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.478 -0.783 . . . . 1.74 109.504 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.6 tp -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.491 -0.777 . . . . 0.26 110.989 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.2 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 2.43 110.863 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.76 -47.56 79.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 3.93 109.789 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.21 -42.88 92.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.622 -0.717 . . . . 0.25 111.169 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.2 mtmt -59.69 -34.21 72.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.748 0.309 . . . . 1.57 110.403 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -68.94 -5.45 21.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 2.76 111.042 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 m -79.58 -36.89 37.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.431 . . . . 1.27 109.935 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -81.8 -48.73 11.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.046 0.45 . . . . 0.83 110.113 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.406 ' HB ' ' N ' ' A' ' 32' ' ' NH2 . 35.3 p -79.05 -51.66 9.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.716 -0.674 . . . . 1.83 111.507 -173.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.7 -108.11 0.97 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.977 -0.63 . . . . 2.9 111.8 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -84.53 -27.41 27.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.849 0.356 . . . . 6.35 110.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -140.8 -75.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.55 . . . . 8.32 110.35 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . 0.406 ' N ' ' HB ' ' A' ' 28' ' ' THR . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 5.96 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.214 -0.291 . . . . 4.75 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.66 -47.82 2.58 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.693 2.262 . . . . 0.64 111.598 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.555 ' HB3' HD22 ' A' ' 20' ' ' LEU . 97.4 m-85 -132.65 151.95 51.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.786 -0.643 . . . . 0.34 109.659 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' NLE . . . . . 0.411 ' HG3' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.5 p -72.44 -20.51 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.433 . . . . 1.46 111.041 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 4' ' ' NLE . 43.7 p 50.05 26.48 2.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.096 -0.957 . . . . 1.08 112.798 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -88.34 140.54 29.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.057 -0.349 . . . . 0.69 110.057 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 136.58 55.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.844 -0.616 . . . . 1.21 111.259 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 69.53 10.86 7.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.843 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.72 -70.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 121.083 -0.247 . . . . 0.27 110.575 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 51.88 20.13 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 123.323 0.39 . . . . 0.34 113.197 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 52.8 tttp -88.37 134.83 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.783 0.325 . . . . 1.58 110.63 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -100.66 146.37 27.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 3.5 111.371 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -137.02 162.72 32.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.25 110.737 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 p -106.71 -13.6 15.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.433 -0.803 . . . . 1.39 110.161 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -118.18 135.06 54.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.495 -0.775 . . . . 2.76 110.824 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.47 -38.75 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 1.27 111.294 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.5 -32.86 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.076 0.465 . . . . 2.08 109.935 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.55 -45.25 76.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.518 -0.765 . . . . 1.74 109.435 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 3' ' ' PHE . 33.8 tp -58.6 -47.69 83.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.711 -0.677 . . . . 0.26 110.765 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 87.2 mm-40 -59.39 -45.8 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 2.43 110.947 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -57.44 -47.61 81.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.263 0.554 . . . . 3.93 109.595 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.629 ' O ' HG22 ' A' ' 26' ' ' THR . 49.1 t60 -61.67 -43.32 99.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.25 110.6 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.75 -29.84 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 1.57 111.034 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.9 mtt180 -64.82 -17.85 64.6 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.585 -0.28 . . . . 2.76 111.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.5 t -85.26 -18.14 34.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.54 -0.464 . . . . 1.27 110.188 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -89.51 -59.78 2.12 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.83 109.836 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -91.92 72.11 5.62 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.513 -0.767 . . . . 1.83 109.902 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.48 24.51 1.53 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.636 -0.711 . . . . 2.9 111.947 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 59.69 46.01 12.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.849 0.459 . . . . 6.35 111.503 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -100.12 88.07 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.308 0.575 . . . . 8.32 110.196 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.922 -0.581 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.985 0.422 . . . . 4.75 110.157 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 3' ' ' PHE . 17.1 Cg_exo -66.84 -44.74 5.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.664 2.242 . . . . 0.64 112.338 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 74.5 m-85 -126.67 146.15 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.34 110.307 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.93 107.49 10.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 1.46 109.734 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 p -82.74 25.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 1.08 112.086 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -79.82 120.68 24.41 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.69 108.638 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 37.3 m -54.51 144.63 20.71 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.207 0.317 . . . . 1.21 111.059 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' SER . 54.5 t80 76.48 -24.32 0.22 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.813 0.696 . . . . 2.92 111.356 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -87.04 -74.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.205 -0.294 . . . . 0.27 110.205 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.64 45.73 76.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.431 -0.414 . . . . 0.34 112.981 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -90.94 128.71 36.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.171 -0.307 . . . . 1.58 110.171 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -95.74 149.92 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.515 -0.311 . . . . 3.5 111.261 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -137.06 156.04 48.91 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.227 0.537 . . . . 0.25 111.038 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -101.39 -15.73 17.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 1.39 110.813 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 5.7 ptp180 -132.97 139.24 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.665 . . . . 2.76 110.431 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.65 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 18.3 p -70.14 -32.92 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.305 -0.861 . . . . 1.27 112.182 -171.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.73 -29.79 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.419 . . . . 2.08 109.956 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 6.6 tp10 -72.91 -39.36 66.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 1.74 109.668 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.9 tp -63.92 -45.21 90.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.95 -0.568 . . . . 0.26 110.465 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -63.35 -46.34 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.183 0.516 . . . . 2.43 110.706 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 46.0 ttt180 -56.61 -41.99 77.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.466 -0.788 . . . . 3.93 109.787 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -66.06 -41.37 90.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.21 -0.904 . . . . 0.25 111.311 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 97.5 mttt -52.69 -33.71 48.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.032 0.444 . . . . 1.57 110.989 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 25' ' ' ARG . 63.5 mtt180 -72.41 -0.19 11.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.59 -0.732 . . . . 2.76 111.899 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -90.21 -22.99 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.093 -0.336 . . . . 1.27 110.093 175.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -87.69 -41.42 13.37 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.313 0.578 . . . . 0.83 109.994 177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -99.07 25.5 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.634 -0.712 . . . . 1.83 111.156 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.27 -160.61 25.34 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.536 -0.626 . . . . 2.9 111.536 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 57.82 50.98 9.73 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.386 0.612 . . . . 6.35 110.499 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.13 -69.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 8.32 110.391 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.162 -0.472 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 4.8 ptp180 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.066 0.46 . . . . 4.75 110.559 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.32 -41.63 32.92 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.631 2.22 . . . . 0.64 112.017 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 97.3 m-85 -138.09 156.83 47.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.34 110.247 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.96 119.21 23.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.705 -0.679 . . . . 1.46 109.311 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -91.23 8.11 37.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.502 -0.317 . . . . 1.08 111.496 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -66.29 129.7 40.7 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.821 -0.437 . . . . 0.69 109.821 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -57.73 142.82 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.369 -0.832 . . . . 1.21 110.877 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 68.26 1.31 2.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.525 0.73 . . . . 2.92 111.942 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -108.64 -74.26 0.66 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.105 -0.332 . . . . 0.27 110.105 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.8 58.39 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.201 -0.524 . . . . 0.34 113.271 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 64.9 tttp -90.78 132.71 35.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.806 -0.232 . . . . 1.58 110.572 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -89.27 151.54 22.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.721 0.296 . . . . 3.5 111.35 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -141.12 161.2 38.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.154 -0.476 . . . . 0.25 110.455 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -107.2 -12.36 15.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.979 -0.555 . . . . 1.39 111.143 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 6.6 ptp180 -140.11 146.37 38.8 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.293 0.568 . . . . 2.76 110.739 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.7 p -70.35 -36.23 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.046 -0.979 . . . . 1.27 111.908 -172.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.3 -38.97 88.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 2.08 110.708 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 5.7 tp10 -65.97 -46.36 78.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.541 -0.54 . . . . 1.74 109.541 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.3 tp -59.95 -46.92 87.85 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.833 -0.621 . . . . 0.26 111.162 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 98.1 mt-30 -62.0 -45.35 93.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.495 -0.321 . . . . 2.43 111.423 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 22' ' ' ARG . 26.3 mtm180 -61.81 -40.22 94.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 3.93 109.699 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.498 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 30.0 t60 -62.31 -44.94 95.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.498 -0.774 . . . . 0.25 110.894 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 58.2 mtpt -63.05 -28.72 70.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 1.57 111.03 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 34.4 mtp180 -64.29 -21.91 66.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 2.76 110.754 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 m -73.09 -31.9 64.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.234 -0.439 . . . . 1.27 110.633 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -78.51 -45.34 22.19 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.274 0.559 . . . . 0.83 109.588 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 p -89.5 59.18 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.38 -0.827 . . . . 1.83 111.272 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.16 -135.91 5.68 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.647 -0.787 . . . . 2.9 111.925 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.92 -19.3 60.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.977 0.417 . . . . 6.35 110.678 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -120.34 -82.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.067 -0.515 . . . . 8.32 110.063 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.667 -0.242 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 110.468 -0.197 . . . . 4.75 110.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.94 -44.25 16.77 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.541 2.161 . . . . 0.64 111.164 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 17' ' ' SER . 91.4 m-85 -127.59 140.63 51.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.758 -0.83 . . . . 0.34 108.758 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.456 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 44.2 t -79.75 112.42 17.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.662 . . . . 1.46 109.265 172.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -92.14 18.77 7.63 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.991 0.424 . . . . 1.08 111.509 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -66.14 143.36 57.34 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.247 -0.433 . . . . 0.69 110.012 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -58.67 135.33 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.21 110.965 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 66.83 9.67 6.96 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.532 -0.758 . . . . 2.92 111.953 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.6 t -111.4 -81.61 0.58 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.937 -0.305 . . . . 0.27 110.614 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 58.67 35.14 79.86 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.809 -0.71 . . . . 0.34 113.312 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -83.92 136.29 34.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.907 0.354 . . . . 1.58 110.233 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.26 150.74 23.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.869 0.366 . . . . 3.5 111.368 -175.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.45 157.98 45.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.25 110.114 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -95.33 -18.75 20.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.974 -0.557 . . . . 1.39 110.681 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -136.1 144.81 45.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.459 0.647 . . . . 2.76 110.714 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.541 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 31.6 t -70.77 -27.69 64.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.214 -0.903 . . . . 1.27 111.418 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -63.29 -37.42 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 2.08 109.967 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.27 -44.71 74.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.198 -0.91 . . . . 1.74 109.44 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 40.0 tp -60.39 -48.17 82.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.26 111.282 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.3 mm-40 -63.45 -42.58 98.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.711 0.291 . . . . 2.43 111.087 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -64.57 -37.96 89.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.688 -0.486 . . . . 3.93 109.688 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 26' ' ' THR . 22.0 t60 -62.58 -47.74 82.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.626 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 56.8 mtpt -57.23 -26.95 61.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.167 0.508 . . . . 1.57 111.118 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 30.3 mmm180 -67.01 -13.18 61.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.75 -0.659 . . . . 2.76 111.464 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -83.61 -26.51 29.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.643 0.258 . . . . 1.27 110.523 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -78.91 -43.87 23.91 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.214 0.531 . . . . 0.83 109.745 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 p -74.92 -30.75 61.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 1.83 110.793 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 41.49 2.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.984 -0.627 . . . . 2.9 112.038 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -110.57 143.91 40.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.768 -0.456 . . . . 6.35 109.768 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -124.14 83.07 2.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.994 -0.548 . . . . 8.32 109.71 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.459 -0.337 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.169 -0.308 . . . . 4.75 110.169 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.23 -47.49 2.26 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.513 2.142 . . . . 0.64 112.785 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 94.0 m-85 -135.23 150.12 50.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.34 111.167 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' NLE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 4' ' ' NLE . 14.9 t -71.27 114.7 9.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.125 -0.489 . . . . 1.46 110.453 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -86.85 23.22 1.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.919 -0.582 . . . . 1.08 111.927 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -81.23 133.15 35.4 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.68 -0.489 . . . . 0.69 109.68 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -59.23 135.96 57.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.352 -0.84 . . . . 1.21 111.281 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 66.0 14.66 9.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.508 -0.769 . . . . 2.92 111.719 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -115.84 -75.87 0.58 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.74 -0.466 . . . . 0.27 109.74 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.83 73.85 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.35 -0.452 . . . . 0.34 114.028 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -84.33 131.61 34.69 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.984 -0.376 . . . . 1.58 109.984 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 17.5 ptm180 -93.79 149.46 21.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.806 0.336 . . . . 3.5 111.821 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -140.0 161.7 36.96 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.197 0.523 . . . . 0.25 110.812 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.1 p -103.48 -18.32 14.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.481 -0.781 . . . . 1.39 111.781 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -134.9 147.77 49.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.551 0.691 . . . . 2.76 110.864 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 12.1 p -69.07 -34.2 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.918 -1.037 . . . . 1.27 112.318 -172.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.74 -35.92 82.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 2.08 110.359 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.25 -48.33 65.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.02 -0.536 . . . . 1.74 109.794 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.1 tp -58.54 -42.42 87.77 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.26 110.58 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 24.1 tp60 -63.45 -45.27 91.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 2.43 110.754 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.11 -45.43 87.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.196 0.522 . . . . 3.93 109.685 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 26' ' ' THR . 47.2 t60 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.233 -0.894 . . . . 0.25 111.189 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 29.6 mtpp -56.37 -29.42 61.4 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.184 0.516 . . . . 1.57 110.635 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 86.1 mtt180 -70.88 -6.09 35.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 2.76 111.417 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -84.85 -20.33 31.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.16 -0.311 . . . . 1.27 110.16 176.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -93.63 -45.64 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.667 -0.494 . . . . 0.83 109.667 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 m -99.9 88.99 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.953 -0.567 . . . . 1.83 110.549 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.67 133.96 6.06 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.416 -0.674 . . . . 2.9 111.416 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -101.59 9.78 40.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.748 0.308 . . . . 6.35 111.366 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -121.52 -75.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.905 0.384 . . . . 8.32 110.463 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 116.476 -0.329 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo . . . . . 0 N--CA 1.462 -0.34 0 N-CA-C 110.726 -0.528 . . . . 0.64 110.726 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.58 ' HB3' HD22 ' A' ' 20' ' ' LEU . 92.2 m-85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.576 -0.738 . . . . 0.34 109.681 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.812 0.339 . . . . 1.46 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p 53.25 19.73 1.63 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 1.08 113.026 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -80.52 138.49 36.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.869 -0.419 . . . . 0.69 109.869 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -56.79 129.04 39.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 1.21 111.662 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 68.47 23.96 7.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.398 -0.819 . . . . 2.92 111.647 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -139.02 -67.3 0.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.629 -0.714 . . . . 0.27 109.085 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.42 50.92 9.91 Favored Glycine 0 C--N 1.338 0.64 0 O-C-N 123.648 0.593 . . . . 0.34 113.665 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -87.53 133.63 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.0 -0.371 . . . . 1.58 110.0 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -100.97 153.83 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.983 -0.553 . . . . 3.5 110.496 -177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -141.63 161.08 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.25 110.141 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -113.18 2.63 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.253 0.549 . . . . 1.39 110.094 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 13.4 ptm180 -139.78 135.13 32.73 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.592 0.711 . . . . 2.76 110.299 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 p -67.6 -37.62 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.864 -1.062 . . . . 1.27 112.492 -170.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -64.9 -31.26 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 2.08 110.444 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 9.4 tp10 -72.58 -43.42 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 1.74 109.762 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 3' ' ' PHE . 40.6 tp -61.94 -46.95 87.07 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.26 110.566 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 34.7 tt0 -55.68 -50.43 70.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.171 0.51 . . . . 2.43 110.199 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 47.7 ttt180 -57.47 -44.78 85.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.243 -0.889 . . . . 3.93 110.564 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -64.52 -42.93 95.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.851 -0.613 . . . . 0.25 111.085 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.4 mtmt -57.0 -27.24 61.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.88 0.371 . . . . 1.57 110.889 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 99.7 mtt180 -63.75 -16.41 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.79 -0.641 . . . . 2.76 111.871 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 23' ' ' HIS . 2.9 t -86.9 -20.3 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 1.27 110.628 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 120.954 0.407 . . . . 0.83 110.81 179.58 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 41.1 Cg_endo . . . . . 0 CA--C 1.528 0.196 0 N-CA-C 113.651 0.596 . . . . 0.64 113.651 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.644 0.259 . . . . 0.34 110.38 -178.52 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 t . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.813 0.339 . . . . 1.46 110.233 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -96.67 17.0 17.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 1.08 111.794 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -77.93 136.62 38.04 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.942 0.401 . . . . 0.69 110.072 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -53.67 129.54 33.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.977 -1.011 . . . . 1.21 111.726 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 72.95 -11.75 0.84 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.514 0.726 . . . . 2.92 112.471 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.51 -70.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.696 -0.483 . . . . 0.27 109.696 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.45 44.25 36.27 Favored Glycine 0 C--N 1.335 0.506 0 O-C-N 123.433 0.458 . . . . 0.34 113.251 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -84.02 123.9 30.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.106 -0.331 . . . . 1.58 110.106 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.58 148.76 25.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.447 -0.342 . . . . 3.5 111.355 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.41 ' CD2' ' HG2' ' A' ' 19' ' ' GLU . 95.5 m-85 -139.29 170.18 16.41 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.096 0.474 . . . . 0.25 110.966 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.464 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 12.8 t -118.4 -10.17 10.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.889 -0.596 . . . . 1.39 111.068 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 15' ' ' THR . 99.8 mtt180 -128.8 149.69 50.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.95 0.405 . . . . 2.76 110.594 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.6 p -70.45 -46.49 63.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.93 -0.577 . . . . 1.27 110.92 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.57 -32.01 72.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.483 . . . . 2.08 110.044 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 43.2 tt0 -62.2 -48.04 81.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.246 -0.888 . . . . 1.74 110.23 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.8 tp -66.95 -45.09 78.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.26 111.41 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' SER . 17.1 mm-40 -58.5 -45.64 88.35 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.001 0.429 . . . . 2.43 110.517 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 22' ' ' ARG . 35.9 ttm180 -57.96 -47.34 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.354 -0.839 . . . . 3.93 110.04 177.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . 41.3 t60 -58.78 -48.23 81.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.39 -0.823 . . . . 0.25 111.075 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 50.4 mtpt -56.81 -26.11 57.34 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.027 0.442 . . . . 1.57 111.55 -176.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -66.69 -17.97 65.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.94 -0.573 . . . . 2.76 111.3 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.6 t -78.08 -15.63 58.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.687 0.28 . . . . 1.27 110.515 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.248 0.547 . . . . 0.83 110.522 176.308 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 121.208 0.42 . . . . 0.64 111.633 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 91.0 m-85 . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.34 108.695 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.46 110.856 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m 66.98 -5.59 0.66 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.505 -0.77 . . . . 1.08 112.802 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -64.35 137.4 57.88 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.69 109.719 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -58.6 142.17 50.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.687 0.617 . . . . 1.21 110.982 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 64.4 23.0 12.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.131 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -141.15 -71.71 0.35 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.27 110.487 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.14 47.36 49.63 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.475 -0.393 . . . . 0.34 113.42 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -86.12 139.83 30.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.765 0.282 . . . . 1.58 110.628 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -100.95 152.69 20.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 3.5 110.869 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 91.6 m-85 -139.68 154.78 47.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.25 110.438 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 p -101.17 -14.59 17.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.758 -0.656 . . . . 1.39 111.089 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 11.7 ptm180 -135.34 142.67 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.303 0.573 . . . . 2.76 110.274 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 20.6 p -68.88 -31.18 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.404 -0.816 . . . . 1.27 112.051 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.2 m-20 -64.18 -35.34 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 2.08 110.351 178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 4.8 tp10 -67.37 -42.64 83.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 1.74 109.486 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.68 -43.12 99.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.26 110.578 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 14.7 mm100 -59.89 -46.95 87.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.639 -0.255 . . . . 2.43 111.195 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 91.8 mtt180 -57.82 -42.93 85.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.653 . . . . 3.93 109.717 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 48.6 t60 -67.87 -41.65 82.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.565 -1.198 . . . . 0.25 111.39 -176.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -58.23 -37.2 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.3 0.571 . . . . 1.57 110.091 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 77.7 mtp180 -69.43 -14.11 62.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 2.76 110.786 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.7 m -77.58 -39.32 46.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 1.27 110.451 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 120.894 0.378 . . . . 0.83 110.407 178.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 3.0 Cg_exo . . . . . 0 N--CA 1.46 -0.481 0 CA-C-O 120.897 0.29 . . . . 0.64 111.622 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.455 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 116.037 -0.529 . . . . 0.34 110.089 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.665 -0.494 . . . . 1.46 109.665 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.7 p -85.36 14.27 5.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.479 -0.328 . . . . 1.08 111.695 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -68.29 134.55 50.52 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.237 -0.653 . . . . 0.69 109.237 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -58.41 138.04 56.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.21 111.276 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 69.89 0.61 3.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.447 -0.797 . . . . 2.92 111.96 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.5 t -105.26 -75.52 0.62 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.999 -0.281 . . . . 0.27 110.649 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.17 60.3 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.245 -0.502 . . . . 0.34 113.676 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.25 132.62 35.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.722 -0.473 . . . . 1.58 109.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -94.85 145.38 24.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.518 -0.31 . . . . 3.5 111.594 -173.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -140.65 147.71 39.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.224 -0.444 . . . . 0.25 110.308 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 11.2 m -97.98 -9.23 26.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.206 0.527 . . . . 1.39 110.439 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 12.2 ptm180 -131.49 133.99 45.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 2.76 110.557 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 11.4 t -67.71 -30.02 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.276 -0.875 . . . . 1.27 111.148 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.1 -35.69 81.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 2.08 110.953 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 7.4 tp10 -72.19 -37.96 69.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.417 -0.586 . . . . 1.74 109.417 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.8 tp -64.39 -47.57 78.74 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.26 110.594 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 95.8 mt-30 -55.81 -51.04 68.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.158 0.504 . . . . 2.43 110.409 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 43.0 ttt180 -55.05 -46.13 75.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.251 -0.886 . . . . 3.93 110.419 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' HG22 ' A' ' 26' ' ' THR . 39.8 t60 -62.29 -44.65 96.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.462 -0.79 . . . . 0.25 111.088 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 30.9 mtpp -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.146 0.498 . . . . 1.57 110.552 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 80.6 mtp180 -71.89 -7.78 50.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 2.76 111.448 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -80.48 -28.86 37.43 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.498 -0.556 . . . . 1.27 109.498 175.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 109.418 -0.586 . . . . 0.83 109.418 177.163 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 121.04 0.35 . . . . 0.64 111.592 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 92.2 m-85 . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.13 -0.693 . . . . 0.34 109.13 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.57 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 12.9 t . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.901 -0.407 . . . . 1.46 109.901 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -91.57 24.71 2.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.859 0.361 . . . . 1.08 111.794 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -83.92 132.79 34.74 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.544 -0.539 . . . . 0.69 109.544 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 t -60.96 137.26 58.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.799 . . . . 1.21 110.806 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 65.69 16.92 10.71 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.454 -0.793 . . . . 2.92 111.388 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.4 t -121.26 -74.84 0.6 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.396 -0.594 . . . . 0.27 109.396 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 51.21 37.99 39.38 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 121.304 -0.474 . . . . 0.34 113.639 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.2 139.77 50.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.899 0.349 . . . . 1.58 110.498 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 13' ' ' ARG . 50.1 mtt180 -98.75 144.1 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 3.5 111.039 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -140.5 157.46 45.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.091 0.472 . . . . 0.25 110.722 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -111.96 -1.26 15.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.145 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -128.29 134.0 48.85 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.852 -0.613 . . . . 2.76 110.373 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.483 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 11.8 p -69.15 -36.27 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 1.27 110.917 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.162 0.506 . . . . 2.08 110.039 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.23 -46.2 88.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.478 -0.783 . . . . 1.74 109.504 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.6 tp -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.491 -0.777 . . . . 0.26 110.989 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.2 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 2.43 110.863 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.76 -47.56 79.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 3.93 109.789 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.21 -42.88 92.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.622 -0.717 . . . . 0.25 111.169 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.2 mtmt -59.69 -34.21 72.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.748 0.309 . . . . 1.57 110.403 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -68.94 -5.45 21.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 2.76 111.042 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 m -79.58 -36.89 37.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.431 . . . . 1.27 109.935 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 121.046 0.45 . . . . 0.83 110.113 179.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 121.127 0.386 . . . . 0.64 111.598 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.555 ' HB3' HD22 ' A' ' 20' ' ' LEU . 97.4 m-85 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.786 -0.643 . . . . 0.34 109.659 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 121.008 0.433 . . . . 1.46 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p 50.05 26.48 2.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.096 -0.957 . . . . 1.08 112.798 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -88.34 140.54 29.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.057 -0.349 . . . . 0.69 110.057 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 136.58 55.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.844 -0.616 . . . . 1.21 111.259 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 69.53 10.86 7.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.843 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.72 -70.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 121.083 -0.247 . . . . 0.27 110.575 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 51.88 20.13 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 123.323 0.39 . . . . 0.34 113.197 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 52.8 tttp -88.37 134.83 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.783 0.325 . . . . 1.58 110.63 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -100.66 146.37 27.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 3.5 111.371 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -137.02 162.72 32.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.25 110.737 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 p -106.71 -13.6 15.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.433 -0.803 . . . . 1.39 110.161 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -118.18 135.06 54.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.495 -0.775 . . . . 2.76 110.824 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.47 -38.75 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 1.27 111.294 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.5 -32.86 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.076 0.465 . . . . 2.08 109.935 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.55 -45.25 76.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.518 -0.765 . . . . 1.74 109.435 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 3' ' ' PHE . 33.8 tp -58.6 -47.69 83.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.711 -0.677 . . . . 0.26 110.765 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.1 mm100 -59.39 -45.8 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 2.43 110.947 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -57.44 -47.61 81.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.263 0.554 . . . . 3.93 109.595 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.629 ' O ' HG22 ' A' ' 26' ' ' THR . 49.1 t60 -61.67 -43.32 99.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.25 110.6 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.75 -29.84 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 1.57 111.034 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.9 mtt180 -64.82 -17.85 64.6 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.585 -0.28 . . . . 2.76 111.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.5 t -85.26 -18.14 34.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.54 -0.464 . . . . 1.27 110.188 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.83 109.836 176.019 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 3' ' ' PHE . 17.1 Cg_exo . . . . . 0 N--CA 1.464 -0.213 0 CA-C-O 120.884 0.285 . . . . 0.64 112.338 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 74.5 m-85 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.34 110.307 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.734 -0.469 . . . . 1.46 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 p -82.74 25.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 1.08 112.086 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -79.82 120.68 24.41 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.69 108.638 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 37.3 m -54.51 144.63 20.71 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.207 0.317 . . . . 1.21 111.059 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' SER . 54.5 t80 76.48 -24.32 0.22 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.813 0.696 . . . . 2.92 111.356 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -87.04 -74.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.205 -0.294 . . . . 0.27 110.205 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.64 45.73 76.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.431 -0.414 . . . . 0.34 112.981 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -90.94 128.71 36.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.171 -0.307 . . . . 1.58 110.171 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -95.74 149.92 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.515 -0.311 . . . . 3.5 111.261 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -137.06 156.04 48.91 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.227 0.537 . . . . 0.25 111.038 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -101.39 -15.73 17.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 1.39 110.813 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 5.7 ptp180 -132.97 139.24 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.665 . . . . 2.76 110.431 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.65 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 18.3 p -70.14 -32.92 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.305 -0.861 . . . . 1.27 112.182 -171.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.73 -29.79 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.419 . . . . 2.08 109.956 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 6.6 tp10 -72.91 -39.36 66.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 1.74 109.668 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.9 tp -63.92 -45.21 90.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.95 -0.568 . . . . 0.26 110.465 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -63.35 -46.34 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.183 0.516 . . . . 2.43 110.706 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.594 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 46.0 ttt180 -56.61 -41.99 77.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.466 -0.788 . . . . 3.93 109.787 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -66.06 -41.37 90.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.21 -0.904 . . . . 0.25 111.311 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 97.5 mttt -52.69 -33.71 48.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.032 0.444 . . . . 1.57 110.989 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 25' ' ' ARG . 63.5 mtt180 -72.41 -0.19 11.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.59 -0.732 . . . . 2.76 111.899 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -90.21 -22.99 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.093 -0.336 . . . . 1.27 110.093 175.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 121.313 0.578 . . . . 0.83 109.994 177.366 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.763 0.235 . . . . 0.64 112.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 97.3 m-85 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.34 110.247 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.311 -0.625 . . . . 1.46 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -91.23 8.11 37.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.502 -0.317 . . . . 1.08 111.496 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -66.29 129.7 40.7 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.821 -0.437 . . . . 0.69 109.821 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -57.73 142.82 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.369 -0.832 . . . . 1.21 110.877 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 68.26 1.31 2.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.525 0.73 . . . . 2.92 111.942 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -108.64 -74.26 0.66 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.105 -0.332 . . . . 0.27 110.105 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.8 58.39 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.201 -0.524 . . . . 0.34 113.271 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 64.9 tttp -90.78 132.71 35.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.806 -0.232 . . . . 1.58 110.572 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -89.27 151.54 22.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.721 0.296 . . . . 3.5 111.35 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -141.12 161.2 38.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.154 -0.476 . . . . 0.25 110.455 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -107.2 -12.36 15.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.979 -0.555 . . . . 1.39 111.143 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 6.6 ptp180 -140.11 146.37 38.8 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.293 0.568 . . . . 2.76 110.739 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.7 p -70.35 -36.23 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.046 -0.979 . . . . 1.27 111.908 -172.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.3 -38.97 88.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 2.08 110.708 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 5.7 tp10 -65.97 -46.36 78.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.541 -0.54 . . . . 1.74 109.541 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.3 tp -59.95 -46.92 87.85 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.833 -0.621 . . . . 0.26 111.162 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 98.1 mt-30 -62.0 -45.35 93.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.495 -0.321 . . . . 2.43 111.423 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 22' ' ' ARG . 26.3 mtm180 -61.81 -40.22 94.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 3.93 109.699 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.498 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 30.0 t60 -62.31 -44.94 95.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.498 -0.774 . . . . 0.25 110.894 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 58.2 mtpt -63.05 -28.72 70.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 1.57 111.03 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 34.4 mtp180 -64.29 -21.91 66.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 2.76 110.754 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 m -73.09 -31.9 64.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.234 -0.439 . . . . 1.27 110.633 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.274 0.559 . . . . 0.83 109.588 176.067 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo . . . . . 0 C--O 1.233 0.241 0 CA-C-O 121.158 0.399 . . . . 0.64 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 17' ' ' SER . 91.4 m-85 . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 108.758 -0.83 . . . . 0.34 108.758 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.456 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 44.2 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.265 -0.642 . . . . 1.46 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -92.14 18.77 7.63 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.991 0.424 . . . . 1.08 111.509 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -66.14 143.36 57.34 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.247 -0.433 . . . . 0.69 110.012 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -58.67 135.33 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.21 110.965 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 66.83 9.67 6.96 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.532 -0.758 . . . . 2.92 111.953 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.6 t -111.4 -81.61 0.58 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.937 -0.305 . . . . 0.27 110.614 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 58.67 35.14 79.86 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.809 -0.71 . . . . 0.34 113.312 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -83.92 136.29 34.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.907 0.354 . . . . 1.58 110.233 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.26 150.74 23.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.869 0.366 . . . . 3.5 111.368 -175.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.45 157.98 45.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.25 110.114 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -95.33 -18.75 20.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.974 -0.557 . . . . 1.39 110.681 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -136.1 144.81 45.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.459 0.647 . . . . 2.76 110.714 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.541 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 31.6 t -70.77 -27.69 64.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.214 -0.903 . . . . 1.27 111.418 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -63.29 -37.42 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 2.08 109.967 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.27 -44.71 74.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.198 -0.91 . . . . 1.74 109.44 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 40.0 tp -60.39 -48.17 82.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.26 111.282 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.3 mm-40 -63.45 -42.58 98.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.711 0.291 . . . . 2.43 111.087 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -64.57 -37.96 89.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.688 -0.486 . . . . 3.93 109.688 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 26' ' ' THR . 22.0 t60 -62.58 -47.74 82.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.626 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 56.8 mtpt -57.23 -26.95 61.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.167 0.508 . . . . 1.57 111.118 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 30.3 mmm180 -67.01 -13.18 61.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.75 -0.659 . . . . 2.76 111.464 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -83.61 -26.51 29.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.643 0.258 . . . . 1.27 110.523 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.214 0.531 . . . . 0.83 109.745 176.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.462 -0.357 0 N-CA-C 112.785 0.263 . . . . 0.64 112.785 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 94.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.34 111.167 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.997 0.427 . . . . 1.46 110.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -86.85 23.22 1.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.919 -0.582 . . . . 1.08 111.927 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -81.23 133.15 35.4 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.68 -0.489 . . . . 0.69 109.68 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -59.23 135.96 57.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.352 -0.84 . . . . 1.21 111.281 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 66.0 14.66 9.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.508 -0.769 . . . . 2.92 111.719 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -115.84 -75.87 0.58 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.74 -0.466 . . . . 0.27 109.74 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.83 73.85 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.35 -0.452 . . . . 0.34 114.028 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -84.33 131.61 34.69 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.984 -0.376 . . . . 1.58 109.984 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -93.79 149.46 21.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.806 0.336 . . . . 3.5 111.821 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -140.0 161.7 36.96 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.197 0.523 . . . . 0.25 110.812 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.1 p -103.48 -18.32 14.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.481 -0.781 . . . . 1.39 111.781 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -134.9 147.77 49.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.551 0.691 . . . . 2.76 110.864 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 12.1 p -69.07 -34.2 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.918 -1.037 . . . . 1.27 112.318 -172.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.74 -35.92 82.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 2.08 110.359 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.25 -48.33 65.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.02 -0.536 . . . . 1.74 109.794 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.1 tp -58.54 -42.42 87.77 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.26 110.58 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 24.1 tp60 -63.45 -45.27 91.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 2.43 110.754 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.11 -45.43 87.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.196 0.522 . . . . 3.93 109.685 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 26' ' ' THR . 47.2 t60 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.233 -0.894 . . . . 0.25 111.189 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 29.6 mtpp -56.37 -29.42 61.4 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.184 0.516 . . . . 1.57 110.635 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 86.1 mtt180 -70.88 -6.09 35.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 2.76 111.417 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -84.85 -20.33 31.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.16 -0.311 . . . . 1.27 110.16 176.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 109.667 -0.494 . . . . 0.83 109.667 177.559 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.765 0.317 . . . . 4.75 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.91 -46.56 4.67 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.126 1.884 . . . . 0.64 110.726 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.58 ' HB3' HD22 ' A' ' 20' ' ' LEU . 92.2 m-85 -126.36 150.8 48.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.576 -0.738 . . . . 0.34 109.681 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.1 p -73.87 -22.47 59.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 1.46 110.93 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p 53.25 19.73 1.63 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 1.08 113.026 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -80.52 138.49 36.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.869 -0.419 . . . . 0.69 109.869 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -56.79 129.04 39.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 1.21 111.662 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 68.47 23.96 7.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.398 -0.819 . . . . 2.92 111.647 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -139.02 -67.3 0.46 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.629 -0.714 . . . . 0.27 109.085 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.42 50.92 9.91 Favored Glycine 0 C--N 1.338 0.64 0 O-C-N 123.648 0.593 . . . . 0.34 113.665 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -87.53 133.63 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.0 -0.371 . . . . 1.58 110.0 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 17.0 ptp180 -100.97 153.83 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.983 -0.553 . . . . 3.5 110.496 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -141.63 161.08 38.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.25 110.141 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -113.18 2.63 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.253 0.549 . . . . 1.39 110.094 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 13.4 ptm180 -139.78 135.13 32.73 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.592 0.711 . . . . 2.76 110.299 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 p -67.6 -37.62 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.864 -1.062 . . . . 1.27 112.492 -170.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -64.9 -31.26 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 2.08 110.444 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 9.4 tp10 -72.58 -43.42 63.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 1.74 109.762 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 3' ' ' PHE . 40.6 tp -61.94 -46.95 87.07 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.26 110.566 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 34.7 tt0 -55.68 -50.43 70.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.171 0.51 . . . . 2.43 110.199 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 47.7 ttt180 -57.47 -44.78 85.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.243 -0.889 . . . . 3.93 110.564 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -64.52 -42.93 95.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.851 -0.613 . . . . 0.25 111.085 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.4 mtmt -57.0 -27.24 61.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.88 0.371 . . . . 1.57 110.889 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 99.7 mtt180 -63.75 -16.41 61.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.79 -0.641 . . . . 2.76 111.871 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 23' ' ' HIS . 2.9 t -86.9 -20.3 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 1.27 110.628 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -90.73 -32.58 16.1 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.954 0.407 . . . . 0.83 110.81 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.6 p -108.56 59.29 0.61 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.145 0.498 . . . . 1.83 110.107 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.39 73.45 0.12 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.725 -0.67 . . . . 2.9 111.512 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.05 -53.39 10.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.007 0.432 . . . . 6.35 110.087 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.94 -72.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.151 0.501 . . . . 8.32 109.943 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.102 -0.499 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 29.3 mmt180 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.581 0.229 . . . . 4.75 110.618 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 15' ' ' THR . 41.1 Cg_endo -68.51 -21.48 40.05 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.01 2.473 . . . . 0.64 113.651 -175.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -117.67 151.88 36.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.644 0.259 . . . . 0.34 110.38 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.3 128.91 36.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.372 -0.831 . . . . 1.46 110.233 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 p -96.67 17.0 17.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.121 -0.49 . . . . 1.08 111.794 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -77.93 136.62 38.04 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.942 0.401 . . . . 0.69 110.072 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -53.67 129.54 33.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.977 -1.011 . . . . 1.21 111.726 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 72.95 -11.75 0.84 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.514 0.726 . . . . 2.92 112.471 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.51 -70.2 0.62 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.696 -0.483 . . . . 0.27 109.696 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.45 44.25 36.27 Favored Glycine 0 C--N 1.335 0.506 0 O-C-N 123.433 0.458 . . . . 0.34 113.251 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -84.02 123.9 30.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.106 -0.331 . . . . 1.58 110.106 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -86.58 148.76 25.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.447 -0.342 . . . . 3.5 111.355 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 1' ' ' ARG . 95.5 m-85 -139.29 170.18 16.41 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.096 0.474 . . . . 0.25 110.966 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.464 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 12.8 t -118.4 -10.17 10.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.889 -0.596 . . . . 1.39 111.068 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG3' HG23 ' A' ' 15' ' ' THR . 99.8 mtt180 -128.8 149.69 50.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.95 0.405 . . . . 2.76 110.594 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 21.6 p -70.45 -46.49 63.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.93 -0.577 . . . . 1.27 110.92 -177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -62.57 -32.01 72.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.483 . . . . 2.08 110.044 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 43.2 tt0 -62.2 -48.04 81.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.246 -0.888 . . . . 1.74 110.23 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.8 tp -66.95 -45.09 78.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.26 111.41 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' SER . 17.1 mm-40 -58.5 -45.64 88.35 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.001 0.429 . . . . 2.43 110.517 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 22' ' ' ARG . 35.9 ttm180 -57.96 -47.34 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.354 -0.839 . . . . 3.93 110.04 177.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . 41.3 t60 -58.78 -48.23 81.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.39 -0.823 . . . . 0.25 111.075 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 50.4 mtpt -56.81 -26.11 57.34 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.027 0.442 . . . . 1.57 111.55 -176.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' HA3' ' A' ' 29' ' ' GLY . 56.2 mtp180 -66.69 -17.97 65.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.94 -0.573 . . . . 2.76 111.3 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.6 t -78.08 -15.63 58.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.687 0.28 . . . . 1.27 110.515 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -93.99 -70.42 0.71 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.248 0.547 . . . . 0.83 110.522 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -122.04 15.8 10.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 1.83 111.162 -171.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 25' ' ' ARG . . . -66.45 -29.0 74.07 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.236 -0.983 . . . . 2.9 111.405 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.02 16.72 21.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.995 0.426 . . . . 6.35 110.495 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.63 -85.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 8.32 110.425 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.678 -0.237 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.149 -0.315 . . . . 4.75 110.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.67 -43.29 21.83 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.741 2.294 . . . . 0.64 111.633 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 91.0 m-85 -135.71 147.94 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.34 108.695 175.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -44.86 92.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.945 -1.025 . . . . 1.46 110.856 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m 66.98 -5.59 0.66 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.505 -0.77 . . . . 1.08 112.802 173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -64.35 137.4 57.88 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.69 109.719 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -58.6 142.17 50.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.687 0.617 . . . . 1.21 110.982 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 64.4 23.0 12.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.131 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -141.15 -71.71 0.35 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.27 110.487 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.14 47.36 49.63 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.475 -0.393 . . . . 0.34 113.42 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -86.12 139.83 30.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.765 0.282 . . . . 1.58 110.628 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -100.95 152.69 20.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 3.5 110.869 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 91.6 m-85 -139.68 154.78 47.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.25 110.438 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 p -101.17 -14.59 17.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.758 -0.656 . . . . 1.39 111.089 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 11.7 ptm180 -135.34 142.67 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.303 0.573 . . . . 2.76 110.274 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 20.6 p -68.88 -31.18 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.404 -0.816 . . . . 1.27 112.051 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.2 m-20 -64.18 -35.34 80.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 2.08 110.351 178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 4.8 tp10 -67.37 -42.64 83.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 1.74 109.486 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.68 -43.12 99.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.26 110.578 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 14.7 mm100 -59.89 -46.95 87.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.639 -0.255 . . . . 2.43 111.195 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 91.8 mtt180 -57.82 -42.93 85.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.653 . . . . 3.93 109.717 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 48.6 t60 -67.87 -41.65 82.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.565 -1.198 . . . . 0.25 111.39 -176.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -58.23 -37.2 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.3 0.571 . . . . 1.57 110.091 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 77.7 mtp180 -69.43 -14.11 62.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 2.76 110.786 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.7 m -77.58 -39.32 46.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 1.27 110.451 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -68.51 -40.79 80.69 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.894 0.378 . . . . 0.83 110.407 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -70.89 -16.64 62.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.125 -0.489 . . . . 1.83 110.587 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -42.56 17.81 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.82 -0.705 . . . . 2.9 111.535 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.49 -47.95 37.25 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.298 0.57 . . . . 6.35 110.071 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -108.79 90.08 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.556 -0.747 . . . . 8.32 110.105 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 116.094 -0.503 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.209 -0.293 . . . . 4.75 110.209 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 3.0 Cg_exo -75.84 -32.8 4.22 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.571 2.181 . . . . 0.64 111.622 173.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.455 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m-85 -133.93 146.32 50.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.037 -0.529 . . . . 0.34 110.089 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 t -76.39 112.4 12.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.794 -0.639 . . . . 1.46 109.665 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.7 p -85.36 14.27 5.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.479 -0.328 . . . . 1.08 111.695 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -68.29 134.55 50.52 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.237 -0.653 . . . . 0.69 109.237 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -58.41 138.04 56.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.21 111.276 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 69.89 0.61 3.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.447 -0.797 . . . . 2.92 111.96 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.5 t -105.26 -75.52 0.62 Allowed 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.999 -0.281 . . . . 0.27 110.649 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.17 60.3 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.245 -0.502 . . . . 0.34 113.676 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.25 132.62 35.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.722 -0.473 . . . . 1.58 109.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -94.85 145.38 24.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.518 -0.31 . . . . 3.5 111.594 -173.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -140.65 147.71 39.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.224 -0.444 . . . . 0.25 110.308 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 11.2 m -97.98 -9.23 26.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.206 0.527 . . . . 1.39 110.439 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 12.2 ptm180 -131.49 133.99 45.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 2.76 110.557 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 11.4 t -67.71 -30.02 69.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.276 -0.875 . . . . 1.27 111.148 -171.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.1 -35.69 81.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 2.08 110.953 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 7.4 tp10 -72.19 -37.96 69.17 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.417 -0.586 . . . . 1.74 109.417 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.8 tp -64.39 -47.57 78.74 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.26 110.594 175.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 95.8 mt-30 -55.81 -51.04 68.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.158 0.504 . . . . 2.43 110.409 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 43.0 ttt180 -55.05 -46.13 75.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.251 -0.886 . . . . 3.93 110.419 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' O ' HG22 ' A' ' 26' ' ' THR . 39.8 t60 -62.29 -44.65 96.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.462 -0.79 . . . . 0.25 111.088 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 30.9 mtpp -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.146 0.498 . . . . 1.57 110.552 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 80.6 mtp180 -71.89 -7.78 50.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 2.76 111.448 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -80.48 -28.86 37.43 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.498 -0.556 . . . . 1.27 109.498 175.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -81.0 -40.36 24.41 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.418 -0.586 . . . . 0.83 109.418 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 25' ' ' ARG . 25.6 p -83.25 15.99 2.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.482 -0.781 . . . . 1.83 110.815 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.48 17.91 23.25 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.789 -0.642 . . . . 2.9 111.832 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.97 96.72 0.04 OUTLIER 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.382 0.611 . . . . 6.35 111.951 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -94.18 83.26 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.558 -0.747 . . . . 8.32 110.432 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 116.204 -0.453 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.422 0.153 . . . . 4.75 110.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.93 -37.21 55.68 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.47 2.113 . . . . 0.64 111.592 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 92.2 m-85 -137.15 152.35 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.13 -0.693 . . . . 0.34 109.13 176.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.57 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 12.9 t -78.93 121.37 24.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.437 -0.801 . . . . 1.46 109.901 174.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -91.57 24.71 2.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.859 0.361 . . . . 1.08 111.794 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -83.92 132.79 34.74 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.544 -0.539 . . . . 0.69 109.544 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 t -60.96 137.26 58.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.799 . . . . 1.21 110.806 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 65.69 16.92 10.71 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.454 -0.793 . . . . 2.92 111.388 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.4 t -121.26 -74.84 0.6 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.396 -0.594 . . . . 0.27 109.396 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 51.21 37.99 39.38 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 121.304 -0.474 . . . . 0.34 113.639 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.2 139.77 50.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.899 0.349 . . . . 1.58 110.498 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 13' ' ' ARG . 50.1 mtt180 -98.75 144.1 28.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 3.5 111.039 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -140.5 157.46 45.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.091 0.472 . . . . 0.25 110.722 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -111.96 -1.26 15.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.01 -0.541 . . . . 1.39 110.145 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -128.29 134.0 48.85 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.852 -0.613 . . . . 2.76 110.373 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.483 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 11.8 p -69.15 -36.27 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 1.27 110.917 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.86 -35.7 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.162 0.506 . . . . 2.08 110.039 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.23 -46.2 88.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.478 -0.783 . . . . 1.74 109.504 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 43.6 tp -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.491 -0.777 . . . . 0.26 110.989 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.2 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 2.43 110.863 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.76 -47.56 79.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 3.93 109.789 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.21 -42.88 92.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.622 -0.717 . . . . 0.25 111.169 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 53.2 mtmt -59.69 -34.21 72.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.748 0.309 . . . . 1.57 110.403 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -68.94 -5.45 21.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.007 -0.542 . . . . 2.76 111.042 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 m -79.58 -36.89 37.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.431 . . . . 1.27 109.935 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -81.8 -48.73 11.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.046 0.45 . . . . 0.83 110.113 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.406 ' HB ' ' N ' ' A' ' 32' ' ' NH2 . 35.3 p -79.05 -51.66 9.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.716 -0.674 . . . . 1.83 111.507 -173.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.7 -108.11 0.97 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.977 -0.63 . . . . 2.9 111.8 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -84.53 -27.41 27.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.849 0.356 . . . . 6.35 110.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -140.8 -75.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.55 . . . . 8.32 110.35 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . 0.406 ' N ' ' HB ' ' A' ' 28' ' ' THR . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 5.96 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.214 -0.291 . . . . 4.75 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.66 -47.82 2.58 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.693 2.262 . . . . 0.64 111.598 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.555 ' HB3' HD22 ' A' ' 20' ' ' LEU . 97.4 m-85 -132.65 151.95 51.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.786 -0.643 . . . . 0.34 109.659 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . 0.411 ' HG3' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.5 p -72.44 -20.51 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.433 . . . . 1.46 111.041 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 4' ' ' NLE . 43.7 p 50.05 26.48 2.08 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.096 -0.957 . . . . 1.08 112.798 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -88.34 140.54 29.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.057 -0.349 . . . . 0.69 110.057 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 136.58 55.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.844 -0.616 . . . . 1.21 111.259 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 69.53 10.86 7.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.608 -0.724 . . . . 2.92 111.843 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.72 -70.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 121.083 -0.247 . . . . 0.27 110.575 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 51.88 20.13 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 123.323 0.39 . . . . 0.34 113.197 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 52.8 tttp -88.37 134.83 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.783 0.325 . . . . 1.58 110.63 -174.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -100.66 146.37 27.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 3.5 111.371 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -137.02 162.72 32.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.25 110.737 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 p -106.71 -13.6 15.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.433 -0.803 . . . . 1.39 110.161 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -118.18 135.06 54.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.495 -0.775 . . . . 2.76 110.824 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.47 -38.75 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 1.27 111.294 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.5 -32.86 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.076 0.465 . . . . 2.08 109.935 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.55 -45.25 76.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.518 -0.765 . . . . 1.74 109.435 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 3' ' ' PHE . 33.8 tp -58.6 -47.69 83.47 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.711 -0.677 . . . . 0.26 110.765 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.1 mm100 -59.39 -45.8 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 2.43 110.947 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -57.44 -47.61 81.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.263 0.554 . . . . 3.93 109.595 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.629 ' O ' HG22 ' A' ' 26' ' ' THR . 49.1 t60 -61.67 -43.32 99.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.25 110.6 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.75 -29.84 65.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 1.57 111.034 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.9 mtt180 -64.82 -17.85 64.6 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.585 -0.28 . . . . 2.76 111.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.5 t -85.26 -18.14 34.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.54 -0.464 . . . . 1.27 110.188 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -89.51 -59.78 2.12 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.83 109.836 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -91.92 72.11 5.62 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.513 -0.767 . . . . 1.83 109.902 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.48 24.51 1.53 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.636 -0.711 . . . . 2.9 111.947 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 59.69 46.01 12.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.849 0.459 . . . . 6.35 111.503 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -100.12 88.07 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.308 0.575 . . . . 8.32 110.196 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.922 -0.581 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.985 0.422 . . . . 4.75 110.157 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 3' ' ' PHE . 17.1 Cg_exo -66.84 -44.74 5.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.664 2.242 . . . . 0.64 112.338 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.65 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 74.5 m-85 -126.67 146.15 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.34 110.307 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.93 107.49 10.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 1.46 109.734 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 p -82.74 25.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 1.08 112.086 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -79.82 120.68 24.41 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.638 -0.875 . . . . 0.69 108.638 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 37.3 m -54.51 144.63 20.71 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.207 0.317 . . . . 1.21 111.059 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' SER . 54.5 t80 76.48 -24.32 0.22 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.813 0.696 . . . . 2.92 111.356 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -87.04 -74.16 0.44 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.205 -0.294 . . . . 0.27 110.205 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.64 45.73 76.99 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.431 -0.414 . . . . 0.34 112.981 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -90.94 128.71 36.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.171 -0.307 . . . . 1.58 110.171 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -95.74 149.92 20.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.515 -0.311 . . . . 3.5 111.261 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -137.06 156.04 48.91 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.227 0.537 . . . . 0.25 111.038 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.3 p -101.39 -15.73 17.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 1.39 110.813 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 5.7 ptp180 -132.97 139.24 47.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.665 . . . . 2.76 110.431 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.65 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 18.3 p -70.14 -32.92 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.305 -0.861 . . . . 1.27 112.182 -171.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.73 -29.79 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.419 . . . . 2.08 109.956 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.594 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 6.6 tp10 -72.91 -39.36 66.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 1.74 109.668 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 34.9 tp -63.92 -45.21 90.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.95 -0.568 . . . . 0.26 110.465 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -63.35 -46.34 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.183 0.516 . . . . 2.43 110.706 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 46.0 ttt180 -56.61 -41.99 77.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.466 -0.788 . . . . 3.93 109.787 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 26' ' ' THR . 49.5 t60 -66.06 -41.37 90.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.21 -0.904 . . . . 0.25 111.311 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 97.5 mttt -52.69 -33.71 48.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.032 0.444 . . . . 1.57 110.989 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 25' ' ' ARG . 63.5 mtt180 -72.41 -0.19 11.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.59 -0.732 . . . . 2.76 111.899 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -90.21 -22.99 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.093 -0.336 . . . . 1.27 110.093 175.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -87.69 -41.42 13.37 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.313 0.578 . . . . 0.83 109.994 177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -99.07 25.5 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.634 -0.712 . . . . 1.83 111.156 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.27 -160.61 25.34 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.536 -0.626 . . . . 2.9 111.536 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 57.82 50.98 9.73 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.386 0.612 . . . . 6.35 110.499 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.13 -69.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 8.32 110.391 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.162 -0.472 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 4.8 ptp180 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.066 0.46 . . . . 4.75 110.559 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.32 -41.63 32.92 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.631 2.22 . . . . 0.64 112.017 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 97.3 m-85 -138.09 156.83 47.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.34 110.247 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.96 119.21 23.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.705 -0.679 . . . . 1.46 109.311 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -91.23 8.11 37.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.502 -0.317 . . . . 1.08 111.496 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -66.29 129.7 40.7 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.821 -0.437 . . . . 0.69 109.821 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -57.73 142.82 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.369 -0.832 . . . . 1.21 110.877 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 68.26 1.31 2.81 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.525 0.73 . . . . 2.92 111.942 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -108.64 -74.26 0.66 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.105 -0.332 . . . . 0.27 110.105 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.8 58.39 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.201 -0.524 . . . . 0.34 113.271 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 64.9 tttp -90.78 132.71 35.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.806 -0.232 . . . . 1.58 110.572 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -89.27 151.54 22.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.721 0.296 . . . . 3.5 111.35 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -141.12 161.2 38.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.154 -0.476 . . . . 0.25 110.455 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -107.2 -12.36 15.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.979 -0.555 . . . . 1.39 111.143 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG3' ' HB2' ' A' ' 19' ' ' GLU . 6.6 ptp180 -140.11 146.37 38.8 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.293 0.568 . . . . 2.76 110.739 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.7 p -70.35 -36.23 74.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.046 -0.979 . . . . 1.27 111.908 -172.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.3 -38.97 88.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 2.08 110.708 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 5.7 tp10 -65.97 -46.36 78.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.541 -0.54 . . . . 1.74 109.541 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.3 tp -59.95 -46.92 87.85 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.833 -0.621 . . . . 0.26 111.162 177.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 98.1 mt-30 -62.0 -45.35 93.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.495 -0.321 . . . . 2.43 111.423 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 22' ' ' ARG . 26.3 mtm180 -61.81 -40.22 94.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 3.93 109.699 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.498 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 30.0 t60 -62.31 -44.94 95.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.498 -0.774 . . . . 0.25 110.894 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 58.2 mtpt -63.05 -28.72 70.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 1.57 111.03 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 34.4 mtp180 -64.29 -21.91 66.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 2.76 110.754 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 m -73.09 -31.9 64.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.234 -0.439 . . . . 1.27 110.633 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -78.51 -45.34 22.19 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.274 0.559 . . . . 0.83 109.588 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.7 p -89.5 59.18 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.38 -0.827 . . . . 1.83 111.272 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.16 -135.91 5.68 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.647 -0.787 . . . . 2.9 111.925 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.92 -19.3 60.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.977 0.417 . . . . 6.35 110.678 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -120.34 -82.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.067 -0.515 . . . . 8.32 110.063 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.667 -0.242 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 110.468 -0.197 . . . . 4.75 110.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.94 -44.25 16.77 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.541 2.161 . . . . 0.64 111.164 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 17' ' ' SER . 91.4 m-85 -127.59 140.63 51.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.758 -0.83 . . . . 0.34 108.758 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.456 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 44.2 t -79.75 112.42 17.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.662 . . . . 1.46 109.265 172.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -92.14 18.77 7.63 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.991 0.424 . . . . 1.08 111.509 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -66.14 143.36 57.34 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.247 -0.433 . . . . 0.69 110.012 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -58.67 135.33 57.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.21 110.965 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 66.83 9.67 6.96 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.532 -0.758 . . . . 2.92 111.953 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.6 t -111.4 -81.61 0.58 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.937 -0.305 . . . . 0.27 110.614 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 58.67 35.14 79.86 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.809 -0.71 . . . . 0.34 113.312 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -83.92 136.29 34.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.907 0.354 . . . . 1.58 110.233 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.26 150.74 23.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.869 0.366 . . . . 3.5 111.368 -175.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.45 157.98 45.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.889 -0.596 . . . . 0.25 110.114 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -95.33 -18.75 20.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.974 -0.557 . . . . 1.39 110.681 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -136.1 144.81 45.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.459 0.647 . . . . 2.76 110.714 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.541 ' HB2' ' CE2' ' A' ' 3' ' ' PHE . 31.6 t -70.77 -27.69 64.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.214 -0.903 . . . . 1.27 111.418 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -63.29 -37.42 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 2.08 109.967 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.27 -44.71 74.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.198 -0.91 . . . . 1.74 109.44 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 40.0 tp -60.39 -48.17 82.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.26 111.282 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.3 mm-40 -63.45 -42.58 98.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.711 0.291 . . . . 2.43 111.087 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -64.57 -37.96 89.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.688 -0.486 . . . . 3.93 109.688 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 26' ' ' THR . 22.0 t60 -62.58 -47.74 82.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 0.25 110.626 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 56.8 mtpt -57.23 -26.95 61.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.167 0.508 . . . . 1.57 111.118 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 30.3 mmm180 -67.01 -13.18 61.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.75 -0.659 . . . . 2.76 111.464 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -83.61 -26.51 29.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.643 0.258 . . . . 1.27 110.523 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -78.91 -43.87 23.91 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.214 0.531 . . . . 0.83 109.745 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 p -74.92 -30.75 61.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 1.83 110.793 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 41.49 2.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.984 -0.627 . . . . 2.9 112.038 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -110.57 143.91 40.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.768 -0.456 . . . . 6.35 109.768 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -124.14 83.07 2.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.994 -0.548 . . . . 8.32 109.71 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.459 -0.337 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.169 -0.308 . . . . 4.75 110.169 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.23 -47.49 2.26 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.513 2.142 . . . . 0.64 112.785 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 17' ' ' SER . 94.0 m-85 -135.23 150.12 50.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.34 111.167 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 4' ' ' NLE . 14.9 t -71.27 114.7 9.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.125 -0.489 . . . . 1.46 110.453 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -86.85 23.22 1.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.919 -0.582 . . . . 1.08 111.927 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -81.23 133.15 35.4 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.68 -0.489 . . . . 0.69 109.68 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.5 t -59.23 135.96 57.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.352 -0.84 . . . . 1.21 111.281 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 66.0 14.66 9.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.508 -0.769 . . . . 2.92 111.719 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -115.84 -75.87 0.58 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.74 -0.466 . . . . 0.27 109.74 173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.83 73.85 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.35 -0.452 . . . . 0.34 114.028 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -84.33 131.61 34.69 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.984 -0.376 . . . . 1.58 109.984 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 17.5 ptm180 -93.79 149.46 21.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.806 0.336 . . . . 3.5 111.821 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -140.0 161.7 36.96 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.197 0.523 . . . . 0.25 110.812 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.1 p -103.48 -18.32 14.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.481 -0.781 . . . . 1.39 111.781 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -134.9 147.77 49.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.551 0.691 . . . . 2.76 110.864 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 12.1 p -69.07 -34.2 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.918 -1.037 . . . . 1.27 112.318 -172.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.74 -35.92 82.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 2.08 110.359 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -68.25 -48.33 65.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.02 -0.536 . . . . 1.74 109.794 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 37.1 tp -58.54 -42.42 87.77 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.26 110.58 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 24.1 tp60 -63.45 -45.27 91.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.322 -0.399 . . . . 2.43 110.754 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.11 -45.43 87.26 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.196 0.522 . . . . 3.93 109.685 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 26' ' ' THR . 47.2 t60 -62.29 -44.45 96.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.233 -0.894 . . . . 0.25 111.189 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 29.6 mtpp -56.37 -29.42 61.4 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.184 0.516 . . . . 1.57 110.635 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 86.1 mtt180 -70.88 -6.09 35.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.686 -0.688 . . . . 2.76 111.417 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 23' ' ' HIS . 1.3 t -84.85 -20.33 31.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.16 -0.311 . . . . 1.27 110.16 176.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -93.63 -45.64 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.667 -0.494 . . . . 0.83 109.667 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 m -99.9 88.99 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.953 -0.567 . . . . 1.83 110.549 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.67 133.96 6.06 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.416 -0.674 . . . . 2.9 111.416 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -101.59 9.78 40.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.748 0.308 . . . . 6.35 111.366 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -121.52 -75.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.905 0.384 . . . . 8.32 110.463 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 116.476 -0.329 . . . . 5.96 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_