data_1wnm_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wnm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.95 83.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -58.29 -64.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -35.79 76.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.91 -46.65 80.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -49.42 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -48.24 80.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.33 73.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.7 t -72.65 -60.08 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -34.49 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.594 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -70.1 -54.16 14.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.992 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.3 -42.04 69.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.685 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.86 -64.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.651 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -51.24 -47.82 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.95 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.389 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.74 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -61.1 2.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.85 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.5 -53.44 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -44.75 91.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.93 -37.78 88.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -41.74 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.058 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -58.98 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -41.91 56.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -63.62 -52.25 61.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.39 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.53 73.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.986 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -54.8 18.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -59.13 -46.98 86.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.08 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.65 0.87 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.4 ttp-105 -59.95 -31.25 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.99 -49.11 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -65.03 -48.78 72.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -47.35 82.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.7 ttp -65.32 -41.57 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -69.06 -53.52 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -53.46 -39.64 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.18 -54.56 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -51.74 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.103 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.86 -64.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -51.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.362 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -54.5 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.009 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.43 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -59.39 -32.48 70.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.85 -40.84 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -51.25 61.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -42.49 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttm -64.51 -43.03 95.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -66.92 -57.11 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -50.45 -43.33 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -63.01 -53.8 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.357 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.53 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -64.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -52.12 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.075 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -59.79 -44.11 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.806 0.336 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.97 91.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -63.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -31.22 68.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.09 -43.81 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.594 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -63.02 -46.21 88.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.69 -40.75 98.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.74 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -68.73 -59.0 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -50.03 -40.86 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -64.79 -56.06 15.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.255 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.16 54.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.951 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -64.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.629 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -43.63 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -65.92 -49.75 66.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.132 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.754 0.312 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.15 86.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.248 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.08 -64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -34.73 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.7 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.36 -48.36 75.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -44.67 92.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.67 -41.14 92.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.19 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.99 -40.76 64.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.94 -53.21 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.354 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.89 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.876 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 -63.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.741 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -49.92 -53.97 22.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.392 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.5 -47.04 87.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.22 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.04 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.68 92.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -63.19 1.38 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -30.87 69.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.78 -48.67 65.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -62.44 -46.2 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.1 mtm-85 -61.55 -39.04 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -39.48 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -68.68 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -42.64 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.5 -52.58 60.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -42.19 71.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.875 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 110.777 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.81 65.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.564 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -39.29 92.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.501 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.09 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -65.76 0.58 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -58.46 -33.44 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.13 -45.17 82.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -38.6 91.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.08 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -64.81 -40.57 95.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -77.2 -53.2 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -36.77 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.5 -53.16 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.53 75.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.774 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -62.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -52.46 -52.9 51.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.415 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -43.55 98.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.204 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 179.811 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.65 92.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -56.96 -63.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -60.15 -31.9 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.61 -47.49 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.11 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -42.54 83.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.1 ttm -66.18 -41.75 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -57.06 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -38.63 47.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.95 -56.19 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.43 -44.75 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.886 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -64.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.815 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -49.41 60.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -61.31 -50.65 72.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.69 95.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -58.29 -63.1 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -58.67 -30.86 67.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.03 -49.04 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.688 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -48.61 67.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -58.96 -42.95 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -42.53 92.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -55.92 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.06 -42.52 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -64.76 -52.88 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.391 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.59 -45.78 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.44 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.77 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -51.02 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -60.61 -54.82 40.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.61 87.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -63.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -69.65 -49.98 48.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.778 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -45.21 93.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.1 94.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.62 -37.29 84.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -72.83 -56.56 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -41.33 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.61 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -65.32 -52.86 51.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.382 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.35 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.95 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -55.86 12.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.394 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -59.96 -46.54 89.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.201 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.26 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -62.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -32.7 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.49 -42.42 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -52.69 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.1 ttm105 -57.41 -40.01 77.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -68.76 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -40.46 45.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -66.25 -55.88 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.298 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -65.01 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -46.65 60.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.197 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -63.93 -51.71 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.54 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.36 -63.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -35.33 74.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.07 -46.41 81.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -61.59 -45.77 92.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -43.41 92.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -44.39 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -54.85 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.03 -40.23 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.424 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 20' ' ' ARG . 42.4 t80 -64.08 -56.27 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.41 63.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 -65.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.984 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -47.17 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -63.26 -51.99 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.017 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.955 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -63.47 1.26 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -32.04 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.57 -48.78 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.71 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -46.64 89.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.678 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.23 -40.39 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.88 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -57.82 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -37.16 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 35.1 t80 -66.72 -55.97 12.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.037 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.2 -45.23 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.97 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -49.94 -45.02 50.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -65.91 -53.49 38.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.035 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.32 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.53 -64.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -37.73 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.29 -44.03 92.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.39 -44.86 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -57.62 -45.36 85.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -65.24 -43.02 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -67.72 -54.52 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -52.57 -41.21 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -65.04 -53.63 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.31 -44.91 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.989 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -49.55 -48.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.73 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.19 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 165.68 9.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.88 -28.08 50.83 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.504 2.136 . . . . 0.0 112.247 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.25 -47.73 84.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -35.52 70.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.04 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.95 83.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -58.29 -64.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -35.79 76.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.91 -46.65 80.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -49.42 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -48.24 80.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.33 73.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.7 t -72.65 -60.08 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -34.49 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.594 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -70.1 -54.16 14.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.992 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.3 -42.04 69.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.685 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.86 -64.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.651 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -51.24 -47.82 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -52.95 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.389 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.8 -46.1 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t -83.27 168.3 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.33 166.54 1.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.18 -29.7 32.4 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.553 2.169 . . . . 0.0 112.256 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.91 -55.71 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -28.51 31.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -59.31 -58.47 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.74 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -61.1 2.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.85 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.5 -53.44 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -44.75 91.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.93 -37.78 88.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -41.74 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.058 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -58.98 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -41.91 56.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -63.62 -52.25 61.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.39 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.53 73.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.986 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -54.8 18.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -59.13 -46.98 86.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.03 -40.22 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -68.73 71.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.29 144.53 43.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.86 -45.1 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.557 2.171 . . . . 0.0 112.423 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -42.71 99.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -55.17 -35.64 64.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.61 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.08 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.65 0.87 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.4 ttp-105 -59.95 -31.25 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.99 -49.11 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -65.03 -48.78 72.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -47.35 82.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.7 ttp -65.32 -41.57 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -69.06 -53.52 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -53.46 -39.64 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.18 -54.56 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -51.74 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.103 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.86 -64.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -51.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.362 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -54.5 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.8 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.05 152.15 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.894 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.24 163.96 16.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.19 -51.42 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.541 2.161 . . . . 0.0 112.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -42.35 99.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.16 -44.99 96.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -43.15 99.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.43 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -59.39 -32.48 70.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.85 -40.84 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -51.25 61.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -42.49 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttm -64.51 -43.03 95.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -66.92 -57.11 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -50.45 -43.33 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -63.01 -53.8 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.357 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.53 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -64.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -52.12 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.075 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -59.79 -44.11 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.04 -65.63 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -175.57 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.917 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.26 164.82 13.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.73 -28.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.585 2.19 . . . . 0.0 112.249 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -41.58 92.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -58.34 -39.09 78.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -48.02 82.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.764 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.97 91.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -63.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -31.22 68.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.09 -43.81 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.594 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -63.02 -46.21 88.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.69 -40.75 98.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.74 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -68.73 -59.0 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -50.03 -40.86 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -64.79 -56.06 15.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.255 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.16 54.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.951 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -64.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.629 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -43.63 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -65.92 -49.75 66.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -54.31 -43.62 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 62.08 -80.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.086 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 147.97 34.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.7 -30.67 14.25 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.559 2.173 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.45 -32.39 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.31 -46.62 88.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -45.13 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.15 86.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.248 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.08 -64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -34.73 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.7 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.36 -48.36 75.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -44.67 92.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.67 -41.14 92.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.19 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.99 -40.76 64.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.94 -53.21 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.354 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.89 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.876 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 -63.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.741 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -49.92 -53.97 22.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.392 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.5 -47.04 87.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.22 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -51.96 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t 61.61 152.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.82 148.5 67.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.38 -47.58 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.91 -29.94 69.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -34.28 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -52.63 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.68 92.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -63.19 1.38 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -30.87 69.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.78 -48.67 65.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.694 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -62.44 -46.2 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.1 mtm-85 -61.55 -39.04 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -39.48 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -68.68 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -42.64 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.5 -52.58 60.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -42.19 71.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.875 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 110.777 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.81 65.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.564 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -39.29 92.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.501 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.01 -44.66 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.37 79.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.852 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.27 165.39 34.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.37 -40.86 37.04 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.544 2.163 . . . . 0.0 112.258 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -53.98 48.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -42.52 87.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -58.67 -46.98 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.09 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -65.76 0.58 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -58.46 -33.44 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.13 -45.17 82.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -38.6 91.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.08 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -64.81 -40.57 95.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -77.2 -53.2 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -36.77 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.5 -53.16 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.53 75.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.774 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -62.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -52.46 -52.9 51.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.415 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -43.55 98.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.204 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mt -53.96 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -70.41 95.45 1.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.889 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 164.82 42.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.26 -48.35 1.78 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.541 2.16 . . . . 0.0 112.263 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -57.21 -29.88 64.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -59.06 -56.68 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.65 92.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -56.96 -63.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -60.15 -31.9 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.61 -47.49 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.11 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -42.54 83.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.1 ttm -66.18 -41.75 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -57.06 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -38.63 47.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.95 -56.19 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.43 -44.75 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.886 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -64.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.815 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -49.41 60.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -61.31 -50.65 72.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -53.74 -27.36 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t 61.25 102.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.957 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.791 0.329 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 151.43 84.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.88 -55.8 0.74 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.55 2.167 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -36.92 85.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -30.78 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.37 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.69 95.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -58.29 -63.1 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -58.67 -30.86 67.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.03 -49.04 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.688 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -48.61 67.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -58.96 -42.95 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -42.53 92.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -55.92 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.06 -42.52 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -64.76 -52.88 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.391 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.59 -45.78 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.44 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.77 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -51.02 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -60.61 -54.82 40.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.2 -33.17 62.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -60.77 -57.01 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.877 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.51 161.44 43.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.38 -31.22 62.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.671 2.247 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -46.43 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.02 86.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.61 87.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -63.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -69.65 -49.98 48.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.778 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -45.21 93.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.1 94.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.62 -37.29 84.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -72.83 -56.56 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -41.33 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.61 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -65.32 -52.86 51.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.382 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.35 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.95 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -55.86 12.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.394 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -59.96 -46.54 89.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.201 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.02 -36.72 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t 59.83 32.34 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.7 141.45 31.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.43 -44.43 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.517 2.145 . . . . 0.0 112.352 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -33.85 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -36.35 70.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -52.8 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.26 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -62.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -32.7 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.49 -42.42 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -52.69 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.1 ttm105 -57.41 -40.01 77.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -68.76 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -40.46 45.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -66.25 -55.88 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.298 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -65.01 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -46.65 60.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.197 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -63.93 -51.71 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.24 -49.09 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -66.56 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.937 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.19 163.45 42.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.06 -41.67 4.92 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.583 2.189 . . . . 0.0 112.254 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -34.72 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -57.48 -32.6 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -52.62 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.54 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.36 -63.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -35.33 74.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.07 -46.41 81.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -61.59 -45.77 92.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -43.41 92.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -44.39 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -54.85 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.03 -40.23 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.424 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 20' ' ' ARG . 42.4 t80 -64.08 -56.27 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.41 63.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 -65.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.984 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -47.17 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -63.26 -51.99 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.017 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.0 p -62.08 -54.65 38.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.16 166.54 16.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.63 -39.53 8.91 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.548 2.165 . . . . 0.0 112.294 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.78 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -37.18 70.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -58.74 -51.32 70.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -63.47 1.26 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -32.04 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.57 -48.78 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.71 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -46.64 89.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.678 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.23 -40.39 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.88 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -57.82 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -37.16 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 35.1 t80 -66.72 -55.97 12.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.037 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.2 -45.23 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.97 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -49.94 -45.02 50.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -65.91 -53.49 38.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.28 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -70.75 173.5 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.16 166.14 13.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.94 -30.74 32.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.176 . . . . 0.0 112.186 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.03 -39.43 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -60.67 -51.07 70.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.32 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.53 -64.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -37.73 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.29 -44.03 92.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.39 -44.86 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -57.62 -45.36 85.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -65.24 -43.02 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -67.72 -54.52 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -52.57 -41.21 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -65.04 -53.63 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.31 -44.91 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.989 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -49.55 -48.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.73 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.19 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.9 -32.65 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.95 83.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -58.29 -64.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -35.79 76.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.91 -46.65 80.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -49.42 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -48.24 80.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.33 73.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.7 t -72.65 -60.08 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -34.49 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.594 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 7.6 t80 -70.1 -54.16 14.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.992 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.3 -42.04 69.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.685 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.86 -64.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.651 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -51.24 -47.82 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.92 -52.95 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.389 . . . . 0.0 110.946 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 10' ' ' LEU . 5.5 mtp180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.74 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -61.1 2.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.85 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 6' ' ' ARG . 9.1 mt -67.5 -53.44 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -44.75 91.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.93 -37.78 88.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -41.74 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.058 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -58.98 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -41.91 56.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -63.62 -52.25 61.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.39 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.53 73.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.986 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -54.8 18.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -59.13 -46.98 86.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.08 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.65 0.87 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.4 ttp-105 -59.95 -31.25 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.99 -49.11 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -65.03 -48.78 72.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -47.35 82.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.7 ttp -65.32 -41.57 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -69.06 -53.52 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -53.46 -39.64 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.18 -54.56 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -51.74 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.103 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.86 -64.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -51.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.362 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -54.5 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.009 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.698 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.43 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -59.39 -32.48 70.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.698 HD11 ' HD2' ' A' ' 6' ' ' ARG . 28.5 mt -69.85 -40.84 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -51.25 61.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -42.49 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttm -64.51 -43.03 95.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -66.92 -57.11 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.1 pt-20 -50.45 -43.33 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 13.0 t80 -63.01 -53.8 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.357 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.53 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -64.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -52.12 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.075 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -59.79 -44.11 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.664 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.806 0.336 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.97 91.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -63.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -31.22 68.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.664 HD11 ' HD3' ' A' ' 6' ' ' ARG . 20.0 mt -69.09 -43.81 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.594 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -63.02 -46.21 88.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.69 -40.75 98.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.74 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -68.73 -59.0 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -50.03 -40.86 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -64.79 -56.06 15.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.255 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.16 54.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.951 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -64.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.629 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -43.63 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -65.92 -49.75 66.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.132 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.754 0.312 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.15 86.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.248 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.08 -64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -34.73 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.7 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.36 -48.36 75.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -44.67 92.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.67 -41.14 92.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.19 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.99 -40.76 64.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.94 -53.21 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.354 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.89 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.876 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 -63.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.741 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -49.92 -53.97 22.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.392 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.5 -47.04 87.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.22 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.04 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.68 92.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -63.19 1.38 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -30.87 69.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 6' ' ' ARG . 18.4 mt -67.78 -48.67 65.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.694 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -62.44 -46.2 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.1 mtm-85 -61.55 -39.04 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -39.48 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -68.68 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -42.64 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.5 -52.58 60.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . . . -54.85 -42.19 71.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 110.777 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.81 65.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.564 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -62.45 -39.29 92.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.501 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.09 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -65.76 0.58 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -58.46 -33.44 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.13 -45.17 82.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -38.6 91.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.08 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -64.81 -40.57 95.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -77.2 -53.2 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -36.77 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.5 -53.16 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -57.74 -38.53 75.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.774 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -62.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -52.46 -52.9 51.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.415 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -61.81 -43.55 98.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.204 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 17' ' ' ALA . 9.1 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.65 92.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -56.96 -63.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -60.15 -31.9 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.61 -47.49 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.11 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -42.54 83.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.1 ttm -66.18 -41.75 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -57.06 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -38.63 47.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.95 -56.19 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.43 -44.75 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.886 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -64.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.815 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -49.41 60.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -61.31 -50.65 72.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.69 95.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -58.29 -63.1 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -58.67 -30.86 67.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.03 -49.04 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.688 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -48.61 67.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -58.96 -42.95 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -42.53 92.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -55.92 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.06 -42.52 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -64.76 -52.88 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.391 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.59 -45.78 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.44 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.77 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -51.02 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -60.61 -54.82 40.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.61 87.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -63.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 6' ' ' ARG . 14.6 mt -69.65 -49.98 48.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.778 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -45.21 93.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.1 94.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.62 -37.29 84.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -72.83 -56.56 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -41.33 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.61 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -65.32 -52.86 51.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.382 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.35 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.95 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -55.86 12.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.394 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -59.96 -46.54 89.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.201 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.26 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -62.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -32.7 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD11 ' HD3' ' A' ' 6' ' ' ARG . 17.2 mt -68.49 -42.42 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.757 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -52.69 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.1 ttm105 -57.41 -40.01 77.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -68.76 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -40.46 45.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -66.25 -55.88 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.298 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -65.01 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -46.65 60.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.197 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -63.93 -51.71 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.546 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.54 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.36 -63.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -35.33 74.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.546 HD11 ' HD2' ' A' ' 6' ' ' ARG . 22.5 mt -65.07 -46.41 81.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -61.59 -45.77 92.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -43.41 92.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -44.39 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -54.85 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.03 -40.23 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.424 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 20' ' ' ARG . 42.4 t80 -64.08 -56.27 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.41 63.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 -65.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.984 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -47.17 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -63.26 -51.99 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.017 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.955 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -63.47 1.26 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -32.04 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.57 -48.78 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.71 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -46.64 89.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.678 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 9.9 ttt180 -59.23 -40.39 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.88 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -57.82 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -51.49 -37.16 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.56 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 35.1 t80 -66.72 -55.97 12.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.037 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.2 -45.23 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.97 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -49.94 -45.02 50.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -65.91 -53.49 38.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.035 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.9 mtp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.32 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.53 -64.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -37.73 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 6' ' ' ARG . 14.2 mt -64.29 -44.03 92.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.39 -44.86 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -57.62 -45.36 85.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -65.24 -43.02 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -67.72 -54.52 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -52.57 -41.21 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -65.04 -53.63 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.31 -44.91 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.989 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -49.55 -48.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.73 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.19 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 165.68 9.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.88 -28.08 50.83 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.504 2.136 . . . . 0.0 112.247 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.25 -47.73 84.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -35.52 70.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.04 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.95 83.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -58.29 -64.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -35.79 76.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.91 -46.65 80.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -49.42 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -48.24 80.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.33 73.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.7 t -72.65 -60.08 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -34.49 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.594 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 7.6 t80 -70.1 -54.16 14.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.992 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.3 -42.04 69.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.685 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.86 -64.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.651 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -51.24 -47.82 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.92 -52.95 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.389 . . . . 0.0 110.946 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.8 -46.1 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t -83.27 168.3 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.33 166.54 1.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.18 -29.7 32.4 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.553 2.169 . . . . 0.0 112.256 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.91 -55.71 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -28.51 31.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 10' ' ' LEU . 5.5 mtp180 -59.31 -58.47 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.74 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -61.1 2.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.85 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 6' ' ' ARG . 9.1 mt -67.5 -53.44 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -44.75 91.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.93 -37.78 88.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -41.74 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.058 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -58.98 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -41.91 56.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -63.62 -52.25 61.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.39 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.53 73.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.986 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -54.8 18.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -59.13 -46.98 86.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.03 -40.22 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -68.73 71.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.29 144.53 43.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.86 -45.1 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.557 2.171 . . . . 0.0 112.423 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -42.71 99.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -55.17 -35.64 64.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.61 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.08 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.65 0.87 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.4 ttp-105 -59.95 -31.25 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.99 -49.11 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -65.03 -48.78 72.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -47.35 82.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.7 ttp -65.32 -41.57 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -69.06 -53.52 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -53.46 -39.64 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.18 -54.56 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -51.74 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.103 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.86 -64.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -51.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.362 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -54.5 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.8 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.05 152.15 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.894 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.24 163.96 16.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.19 -51.42 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.541 2.161 . . . . 0.0 112.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -42.35 99.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.16 -44.99 96.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.698 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.28 -43.15 99.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.43 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -59.39 -32.48 70.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.698 HD11 ' HD2' ' A' ' 6' ' ' ARG . 28.5 mt -69.85 -40.84 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -51.25 61.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -42.49 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttm -64.51 -43.03 95.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -66.92 -57.11 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.1 pt-20 -50.45 -43.33 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 13.0 t80 -63.01 -53.8 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.357 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.53 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -64.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -52.12 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.075 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -59.79 -44.11 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.04 -65.63 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -175.57 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.917 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.26 164.82 13.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.73 -28.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.585 2.19 . . . . 0.0 112.249 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -41.58 92.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -58.34 -39.09 78.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.664 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.79 -48.02 82.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.764 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.97 91.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -63.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -31.22 68.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.664 HD11 ' HD3' ' A' ' 6' ' ' ARG . 20.0 mt -69.09 -43.81 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.594 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -63.02 -46.21 88.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.69 -40.75 98.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.74 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -68.73 -59.0 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -50.03 -40.86 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -64.79 -56.06 15.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.255 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.16 54.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.951 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -64.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.629 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -43.63 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -65.92 -49.75 66.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -54.31 -43.62 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 62.08 -80.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.086 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 147.97 34.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.7 -30.67 14.25 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.559 2.173 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.45 -32.39 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.31 -46.62 88.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -45.13 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.15 86.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.248 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.08 -64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -34.73 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.7 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.36 -48.36 75.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -44.67 92.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.67 -41.14 92.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.19 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.99 -40.76 64.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.94 -53.21 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.354 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.89 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.876 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 -63.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.741 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -49.92 -53.97 22.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.392 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.5 -47.04 87.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.22 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -51.96 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t 61.61 152.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.82 148.5 67.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.38 -47.58 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.91 -29.94 69.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -34.28 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.82 -52.63 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.68 92.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -63.19 1.38 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -30.87 69.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 6' ' ' ARG . 18.4 mt -67.78 -48.67 65.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.694 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -62.44 -46.2 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.1 mtm-85 -61.55 -39.04 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -39.48 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -68.68 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -42.64 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.5 -52.58 60.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . . . -54.85 -42.19 71.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 110.777 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.81 65.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.564 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -62.45 -39.29 92.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.501 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.01 -44.66 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.37 79.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.852 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.27 165.39 34.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.37 -40.86 37.04 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.544 2.163 . . . . 0.0 112.258 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -53.98 48.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -42.52 87.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -58.67 -46.98 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.09 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -65.76 0.58 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -58.46 -33.44 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.13 -45.17 82.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -38.6 91.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.08 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -64.81 -40.57 95.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -77.2 -53.2 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -36.77 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.5 -53.16 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -57.74 -38.53 75.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.774 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -62.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -52.46 -52.9 51.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.415 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -61.81 -43.55 98.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.204 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 17' ' ' ALA . 9.1 mt -53.96 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -70.41 95.45 1.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.889 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 164.82 42.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.26 -48.35 1.78 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.541 2.16 . . . . 0.0 112.263 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -57.21 -29.88 64.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -59.06 -56.68 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.65 92.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -56.96 -63.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -60.15 -31.9 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.61 -47.49 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.11 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -42.54 83.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.1 ttm -66.18 -41.75 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -57.06 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -38.63 47.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.95 -56.19 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.43 -44.75 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.886 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -64.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.815 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -49.41 60.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -61.31 -50.65 72.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -53.74 -27.36 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t 61.25 102.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.957 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.791 0.329 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 151.43 84.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.88 -55.8 0.74 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.55 2.167 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -36.92 85.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -30.78 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.37 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.69 95.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -58.29 -63.1 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -58.67 -30.86 67.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.03 -49.04 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.688 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -48.61 67.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -58.96 -42.95 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -42.53 92.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -55.92 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.06 -42.52 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -64.76 -52.88 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.391 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.59 -45.78 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.44 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.77 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -51.02 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -60.61 -54.82 40.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.2 -33.17 62.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -60.77 -57.01 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.877 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.51 161.44 43.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.38 -31.22 62.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.671 2.247 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -46.43 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.02 86.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.61 87.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -63.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 6' ' ' ARG . 14.6 mt -69.65 -49.98 48.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.778 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -45.21 93.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.1 94.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.62 -37.29 84.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -72.83 -56.56 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -41.33 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.61 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -65.32 -52.86 51.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.382 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.35 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.95 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -55.86 12.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.394 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -59.96 -46.54 89.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.201 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.02 -36.72 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t 59.83 32.34 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.7 141.45 31.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.43 -44.43 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.517 2.145 . . . . 0.0 112.352 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -33.85 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -36.35 70.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.84 -52.8 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.26 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -62.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -32.7 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD11 ' HD3' ' A' ' 6' ' ' ARG . 17.2 mt -68.49 -42.42 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.757 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -52.69 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.1 ttm105 -57.41 -40.01 77.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -68.76 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -40.46 45.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -66.25 -55.88 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.298 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -65.01 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -46.65 60.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.197 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -63.93 -51.71 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.24 -49.09 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -66.56 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.937 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.19 163.45 42.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.06 -41.67 4.92 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.583 2.189 . . . . 0.0 112.254 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -34.72 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -57.48 -32.6 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.546 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.2 -52.62 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.54 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.36 -63.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -35.33 74.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.546 HD11 ' HD2' ' A' ' 6' ' ' ARG . 22.5 mt -65.07 -46.41 81.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -61.59 -45.77 92.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -43.41 92.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -44.39 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -54.85 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.03 -40.23 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.424 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 20' ' ' ARG . 42.4 t80 -64.08 -56.27 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.41 63.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 -65.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.984 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -47.17 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -63.26 -51.99 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.017 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.0 p -62.08 -54.65 38.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.16 166.54 16.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.63 -39.53 8.91 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.548 2.165 . . . . 0.0 112.294 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.78 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -37.18 70.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -58.74 -51.32 70.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -63.47 1.26 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -32.04 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.57 -48.78 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.71 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -46.64 89.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.678 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 9.9 ttt180 -59.23 -40.39 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.88 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -57.82 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -51.49 -37.16 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.56 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 35.1 t80 -66.72 -55.97 12.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.037 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.2 -45.23 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.97 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -49.94 -45.02 50.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -65.91 -53.49 38.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.28 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -70.75 173.5 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.16 166.14 13.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.94 -30.74 32.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.176 . . . . 0.0 112.186 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.03 -39.43 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.9 mtp180 -60.67 -51.07 70.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.32 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.53 -64.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -37.73 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 6' ' ' ARG . 14.2 mt -64.29 -44.03 92.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.39 -44.86 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -57.62 -45.36 85.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -65.24 -43.02 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -67.72 -54.52 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -52.57 -41.21 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -65.04 -53.63 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.31 -44.91 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.989 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -49.55 -48.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.73 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.19 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.9 -32.65 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.95 83.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -58.29 -64.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -35.79 76.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.91 -46.65 80.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -49.42 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -48.24 80.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.33 73.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.7 t -72.65 -60.08 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -34.49 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.594 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 7.6 t80 -70.1 -54.16 14.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.992 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.3 -42.04 69.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.685 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.86 -64.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.651 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -51.24 -47.82 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.92 -52.95 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.389 . . . . 0.0 110.946 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 10' ' ' LEU . 5.5 mtp180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.333 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.74 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -61.1 2.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.85 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 6' ' ' ARG . 9.1 mt -67.5 -53.44 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -44.75 91.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.93 -37.78 88.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -41.74 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.058 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -58.98 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -41.91 56.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -63.62 -52.25 61.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.39 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.53 73.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.986 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -54.8 18.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -59.13 -46.98 86.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.08 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.65 0.87 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.4 ttp-105 -59.95 -31.25 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.99 -49.11 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -65.03 -48.78 72.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -47.35 82.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.7 ttp -65.32 -41.57 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -69.06 -53.52 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -53.46 -39.64 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.18 -54.56 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -51.74 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.103 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.86 -64.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -51.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.362 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -54.5 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.009 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.698 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.43 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -59.39 -32.48 70.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.698 HD11 ' HD2' ' A' ' 6' ' ' ARG . 28.5 mt -69.85 -40.84 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -51.25 61.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -42.49 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttm -64.51 -43.03 95.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -66.92 -57.11 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.1 pt-20 -50.45 -43.33 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 13.0 t80 -63.01 -53.8 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.357 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.53 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -64.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -52.12 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.075 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -59.79 -44.11 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.664 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.806 0.336 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.97 91.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -63.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -31.22 68.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.664 HD11 ' HD3' ' A' ' 6' ' ' ARG . 20.0 mt -69.09 -43.81 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.594 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -63.02 -46.21 88.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.69 -40.75 98.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.74 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -68.73 -59.0 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -50.03 -40.86 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -64.79 -56.06 15.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.255 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.16 54.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.951 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -64.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.629 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -43.63 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -65.92 -49.75 66.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.132 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.754 0.312 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.15 86.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.248 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.08 -64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -34.73 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.7 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.36 -48.36 75.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -44.67 92.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.67 -41.14 92.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.19 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.99 -40.76 64.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.94 -53.21 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.354 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.89 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.876 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 -63.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.741 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -49.92 -53.97 22.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.392 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.5 -47.04 87.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.22 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.04 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.68 92.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -63.19 1.38 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -30.87 69.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 6' ' ' ARG . 18.4 mt -67.78 -48.67 65.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.694 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -62.44 -46.2 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.1 mtm-85 -61.55 -39.04 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -39.48 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -68.68 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -42.64 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.5 -52.58 60.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . . . -54.85 -42.19 71.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 110.777 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.81 65.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.564 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -62.45 -39.29 92.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.501 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.09 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -65.76 0.58 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -58.46 -33.44 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.13 -45.17 82.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -38.6 91.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.08 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -64.81 -40.57 95.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -77.2 -53.2 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -36.77 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.5 -53.16 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -57.74 -38.53 75.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.774 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -62.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -52.46 -52.9 51.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.415 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -61.81 -43.55 98.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.204 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 17' ' ' ALA . 9.1 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.65 92.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -56.96 -63.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -60.15 -31.9 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.61 -47.49 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.11 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -42.54 83.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.1 ttm -66.18 -41.75 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -57.06 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -38.63 47.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.95 -56.19 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.43 -44.75 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.886 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -64.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.815 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -49.41 60.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -61.31 -50.65 72.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.69 95.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -58.29 -63.1 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -58.67 -30.86 67.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.03 -49.04 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.688 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -48.61 67.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -58.96 -42.95 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -42.53 92.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -55.92 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.06 -42.52 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -64.76 -52.88 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.391 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.59 -45.78 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.44 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.77 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -51.02 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -60.61 -54.82 40.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.61 87.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -63.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 6' ' ' ARG . 14.6 mt -69.65 -49.98 48.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.778 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -45.21 93.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.1 94.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.62 -37.29 84.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -72.83 -56.56 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -41.33 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.61 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -65.32 -52.86 51.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.382 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.35 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.95 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -55.86 12.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.394 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -59.96 -46.54 89.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.201 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.26 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -62.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -32.7 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD11 ' HD3' ' A' ' 6' ' ' ARG . 17.2 mt -68.49 -42.42 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.757 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -52.69 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.1 ttm105 -57.41 -40.01 77.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -68.76 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -40.46 45.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -66.25 -55.88 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.298 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -65.01 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -46.65 60.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.197 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -63.93 -51.71 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.546 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.54 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.36 -63.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -35.33 74.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.546 HD11 ' HD2' ' A' ' 6' ' ' ARG . 22.5 mt -65.07 -46.41 81.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -61.59 -45.77 92.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -43.41 92.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -44.39 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -54.85 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.03 -40.23 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.424 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 20' ' ' ARG . 42.4 t80 -64.08 -56.27 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.41 63.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 -65.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.984 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -47.17 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -63.26 -51.99 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.017 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.955 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -63.47 1.26 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -32.04 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.57 -48.78 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.71 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -46.64 89.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.678 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 9.9 ttt180 -59.23 -40.39 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.88 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -57.82 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -51.49 -37.16 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.56 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 35.1 t80 -66.72 -55.97 12.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.037 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.2 -45.23 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.97 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -49.94 -45.02 50.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -65.91 -53.49 38.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.035 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.9 mtp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.32 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.53 -64.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -37.73 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 6' ' ' ARG . 14.2 mt -64.29 -44.03 92.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.39 -44.86 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -57.62 -45.36 85.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -65.24 -43.02 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -67.72 -54.52 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -52.57 -41.21 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -65.04 -53.63 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.31 -44.91 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.989 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -49.55 -48.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.73 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.19 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 165.68 9.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.88 -28.08 50.83 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.504 2.136 . . . . 0.0 112.247 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.25 -47.73 84.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -35.52 70.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.04 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.95 83.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -58.29 -64.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -35.79 76.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.91 -46.65 80.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -49.42 74.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.028 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -48.24 80.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.33 73.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.7 t -72.65 -60.08 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -34.49 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.594 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 7.6 t80 -70.1 -54.16 14.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.992 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.3 -42.04 69.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.685 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.86 -64.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.651 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -51.24 -47.82 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.92 -52.95 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.389 . . . . 0.0 110.946 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.8 -46.1 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t -83.27 168.3 16.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.33 166.54 1.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.18 -29.7 32.4 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.553 2.169 . . . . 0.0 112.256 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.91 -55.71 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -28.51 31.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 10' ' ' LEU . 5.5 mtp180 -59.31 -58.47 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.74 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -61.1 2.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.85 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 6' ' ' ARG . 9.1 mt -67.5 -53.44 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -44.75 91.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -62.93 -37.78 88.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -41.74 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.058 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -58.98 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -41.91 56.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -63.62 -52.25 61.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.39 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.53 73.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.986 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -54.8 18.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -59.13 -46.98 86.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.03 -40.22 63.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -68.73 71.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.915 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.827 0.346 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.29 144.53 43.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.86 -45.1 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.557 2.171 . . . . 0.0 112.423 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -42.71 99.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -55.17 -35.64 64.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.61 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.08 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.65 0.87 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.4 ttp-105 -59.95 -31.25 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.99 -49.11 54.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -65.03 -48.78 72.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -47.35 82.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.074 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.7 ttp -65.32 -41.57 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -69.06 -53.52 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -53.46 -39.64 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.963 0.411 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.18 -54.56 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -51.74 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.103 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.86 -64.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -51.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.362 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -54.5 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.981 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.8 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.05 152.15 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.894 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.24 163.96 16.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.19 -51.42 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.541 2.161 . . . . 0.0 112.272 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -42.35 99.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.16 -44.99 96.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.698 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.28 -43.15 99.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.43 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -59.39 -32.48 70.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.698 HD11 ' HD2' ' A' ' 6' ' ' ARG . 28.5 mt -69.85 -40.84 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -51.25 61.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -42.49 94.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.5 ttm -64.51 -43.03 95.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -66.92 -57.11 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.1 pt-20 -50.45 -43.33 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 13.0 t80 -63.01 -53.8 48.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.357 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.53 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -64.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -52.12 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.075 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -59.79 -44.11 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.04 -65.63 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -175.57 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.917 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.26 164.82 13.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.73 -28.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.585 2.19 . . . . 0.0 112.249 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -41.58 92.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -58.34 -39.09 78.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.664 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.79 -48.02 82.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.764 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.97 91.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.024 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -63.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -31.22 68.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.664 HD11 ' HD3' ' A' ' 6' ' ' ARG . 20.0 mt -69.09 -43.81 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.594 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -63.02 -46.21 88.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.69 -40.75 98.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.74 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -68.73 -59.0 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -50.03 -40.86 46.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -64.79 -56.06 15.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.255 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.16 54.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.951 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -64.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.629 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -43.63 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -65.92 -49.75 66.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -54.31 -43.62 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 62.08 -80.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.086 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.777 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.82 147.97 34.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.7 -30.67 14.25 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.559 2.173 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.45 -32.39 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.31 -46.62 88.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -45.13 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.15 86.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.248 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -59.08 -64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -34.73 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.7 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.36 -48.36 75.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -44.67 92.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.67 -41.14 92.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.19 -54.19 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.99 -40.76 64.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.94 -53.21 42.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.354 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.89 77.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.876 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.27 -63.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.741 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -49.92 -53.97 22.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.392 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.5 -47.04 87.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.22 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -51.96 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t 61.61 152.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.857 0.36 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.82 148.5 67.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.38 -47.58 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.91 -29.94 69.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -34.28 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.82 -52.63 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.68 92.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -63.19 1.38 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -30.87 69.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 6' ' ' ARG . 18.4 mt -67.78 -48.67 65.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.694 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -62.44 -46.2 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.1 mtm-85 -61.55 -39.04 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -39.48 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -68.68 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -42.64 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.5 -52.58 60.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . . . -54.85 -42.19 71.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.875 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 110.777 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.81 65.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.564 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -62.45 -39.29 92.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.501 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.01 -44.66 78.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.37 79.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.852 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.27 165.39 34.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.37 -40.86 37.04 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.544 2.163 . . . . 0.0 112.258 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.68 -53.98 48.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -42.52 87.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -58.67 -46.98 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.09 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -65.76 0.58 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -58.46 -33.44 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.657 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.13 -45.17 82.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -38.6 91.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.08 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -64.81 -40.57 95.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -77.2 -53.2 8.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.223 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -36.77 49.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.5 -53.16 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -57.74 -38.53 75.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.774 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -62.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -52.46 -52.9 51.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.415 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -61.81 -43.55 98.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.204 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 17' ' ' ALA . 9.1 mt -53.96 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -70.41 95.45 1.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.889 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 164.82 42.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.26 -48.35 1.78 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.541 2.16 . . . . 0.0 112.263 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -57.21 -29.88 64.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -59.06 -56.68 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.65 92.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -56.96 -63.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -60.15 -31.9 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.61 -47.49 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.11 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -42.54 83.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.1 ttm -66.18 -41.75 89.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -57.06 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -38.63 47.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -66.95 -56.19 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.43 -44.75 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.886 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -64.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.815 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -49.41 60.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -61.31 -50.65 72.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -53.74 -27.36 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.186 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.8 t 61.25 102.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.957 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.791 0.329 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 151.43 84.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.88 -55.8 0.74 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.55 2.167 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -36.92 85.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -30.78 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.37 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.69 95.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -58.29 -63.1 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -58.67 -30.86 67.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.03 -49.04 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.688 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -48.61 67.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -58.96 -42.95 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -42.53 92.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -55.92 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.06 -42.52 63.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -64.76 -52.88 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.391 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.59 -45.78 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.881 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.44 -64.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.77 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.76 -51.02 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -60.61 -54.82 40.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.2 -33.17 62.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -60.77 -57.01 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.877 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.51 161.44 43.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.38 -31.22 62.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.671 2.247 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -46.43 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.02 86.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.61 87.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -63.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 6' ' ' ARG . 14.6 mt -69.65 -49.98 48.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.778 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -45.21 93.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.1 94.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.62 -37.29 84.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -72.83 -56.56 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -41.33 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.61 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -65.32 -52.86 51.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.382 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.35 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.95 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -55.86 12.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.394 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -59.96 -46.54 89.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.201 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.02 -36.72 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t 59.83 32.34 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.7 141.45 31.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.43 -44.43 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.517 2.145 . . . . 0.0 112.352 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -33.85 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -36.35 70.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.84 -52.8 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.94 -39.26 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -62.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -32.7 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD11 ' HD3' ' A' ' 6' ' ' ARG . 17.2 mt -68.49 -42.42 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.757 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -52.69 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.1 ttm105 -57.41 -40.01 77.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -68.76 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -40.46 45.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -66.25 -55.88 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.298 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -65.01 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -46.65 60.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.197 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -63.93 -51.71 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.24 -49.09 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -66.56 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.937 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.19 163.45 42.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.06 -41.67 4.92 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.583 2.189 . . . . 0.0 112.254 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.49 -34.72 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -57.48 -32.6 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.546 ' HD2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.2 -52.62 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.54 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.36 -63.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -35.33 74.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.546 HD11 ' HD2' ' A' ' 6' ' ' ARG . 22.5 mt -65.07 -46.41 81.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -61.59 -45.77 92.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -43.41 92.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -44.39 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -54.85 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.03 -40.23 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.424 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 20' ' ' ARG . 42.4 t80 -64.08 -56.27 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.41 63.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.078 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.81 -65.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.984 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -47.17 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -63.26 -51.99 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.017 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.26 -37.58 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.0 p -62.08 -54.65 38.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.16 166.54 16.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.63 -39.53 8.91 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.548 2.165 . . . . 0.0 112.294 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.78 -42.62 99.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -37.18 70.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -58.74 -51.32 70.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -63.47 1.26 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -32.04 70.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.57 -48.78 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.71 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -46.64 89.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.678 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 9.9 ttt180 -59.23 -40.39 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.88 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -57.82 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -51.49 -37.16 47.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.56 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 35.1 t80 -66.72 -55.97 12.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.037 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.2 -45.23 65.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.97 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -49.94 -45.02 50.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -65.91 -53.49 38.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.28 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -70.75 173.5 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.16 166.14 13.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.94 -30.74 32.37 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.176 . . . . 0.0 112.186 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.03 -39.43 71.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.9 mtp180 -60.67 -51.07 70.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.32 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -58.53 -64.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -37.73 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 6' ' ' ARG . 14.2 mt -64.29 -44.03 92.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.39 -44.86 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -57.62 -45.36 85.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -65.24 -43.02 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -67.72 -54.52 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -52.57 -41.21 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -65.04 -53.63 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.31 -44.91 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.989 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -64.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -49.55 -48.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -49.73 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.19 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.9 -32.65 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 stop_ save_